AG000106

100114-57-6 | 1H-Pyrazole, 3-cyclopropyl-

AG000106

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CAS Number	100114-57-6
Catalog Number	AG000106(AGN-PC-0NUXBA)
Chemical Name	1H-Pyrazole, 3-cyclopropyl-
IUPAC Name	5-cyclopropyl-1H-pyrazole
InChI	InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)
InChI Key	TXWDVWSJMDFNQY-UHFFFAOYSA-N
MDL Number	MFCD04970938
Molecular Formula	C6H8N2
Molecular Weight	108.1411
SMILES	C1(C2CC2)=NNC=C1
Synonyms	3-cyclopropyl-1H-pyrazole, 100114-57-6, 5-Cyclopropyl-1H-pyrazole, 5-cyclopropylpyrazole, 1H-Pyrazole, 3-cyclopropyl-, 1071497-79-4, 3-cyclopropylpyrazole, 1H-Pyrazole,3-cyclopropyl-, MFCD04970938, 3-Cyclopropyl-1H-Pyrazole 97+%, 3-cyclopropyl-2H-pyrazole, ACMC-2097ms, AC1Q1H6W, 1H-pyrazole, 5-cyclopropyl-, SCHEMBL1608843, CTK3J8558, CTK4A5030, KS-00000DQD, TXWDVWSJMDFNQY-UHFFFAOYSA-N, ALBB-018009, BCP02748, ZINC4291288, 8385AC, ANW-14162, BBL016261, SBB022440, STK349804, AKOS000311146, AKOS002160523, 3-Cyclopropyl-1H-pyrazole, AldrichCPR, FH-0702, LS20814, MCULE-2113141671, QC-3985, RP00457, RTR-039066, SB16019, WT82476, NCGC00340626-01, AJ-50372, AJ-50373, AK-40938, AM808021, BR-40938, CJ-11906, SC-25153, SC-50734, SY004983, AB0034336, AB1000312, DB-014101, DB-022297, TC-307895, TR-039066, 4CH-000484, CS-0006099, FT-0687742, FT-0730544, ST45115005, X8472, EN300-54201, A25432, S-6020, Z-3886, AB01187101-03, MFCD06739298 (97+%), W-204347, I14-12867, I14-17522, I14-33934, null, 1-2 weeks, C6H8N2, MFCD06739298, MFCD10001553, ZINC02538706, ACN-046598, CID7017816, 3-cyclopropyl-1H-pyrazole, 95% - 1G 1g, 1170796-66-3, 2026-48-4,

Complexity	88.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.069g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	108.144g/mol
Monoisotopic Mass	108.069g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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