AG00EXPI

578008-32-9 | 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester

AG00EXPI

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CAS Number	578008-32-9
Catalog Number	AG00EXPI(AGN-PC-0SOEV9)
Chemical Name	1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
IUPAC Name	tert-butyl 3-amino-5-methylpyrazole-1-carboxylate
InChI	InChI=1S/C9H15N3O2/c1-6-5-7(10)11-12(6)8(13)14-9(2,3)4/h5H,1-4H3,(H2,10,11)
InChI Key	GJDCNROAKOCYIQ-UHFFFAOYSA-N
MDL Number	MFCD13252375
Molecular Formula	C9H15N3O2
Molecular Weight	197.2343
SMILES	O=C(N1N=C(N)C=C1C)OC(C)(C)C
Synonyms	tert-Butyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate, 578008-32-9, 3-Amino-1-Boc-5-methyl-1H-pyrazole, SCHEMBL161429, GJDCNROAKOCYIQ-UHFFFAOYSA-N, 1-boc-3-amino-5-methyl-pyrazole, KS-00000Q3U, 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester, FCH995414, MFCD13252375, ZINC35973155, AKOS024258768, AJ-92303, AK152307, CS-0036055, X3802, tert-butyl 3-amino-5-methylpyrazole-1-carboxylate, 1,1-Dimethylethyl 3-amino-5-methyl-1H-pyrazole-1-carboxylate, 3-Amino-5-methyl-pyrazole-1-carboxylic acid tert-butyl ester, C9H15N3O2, CID11321537, Tert-butyl 3-amino-5-methyl-pyrazole-1-carboxylate, 1H-Pyrazole-1-carboxylic acid, 3-amino-5-methyl-, 1,1-dimethylethyl ester,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.116g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.238g/mol
Monoisotopic Mass	197.116g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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