| CAS Number | 1249581-67-6 |
| Catalog Number | AG00HHUV(AGN-PC-0WNGGF) |
| Chemical Name | 2-Cyclopropyl-3-nitro-1H-pyrazole |
| IUPAC Name | 5-cyclopropyl-4-nitro-1H-pyrazole |
| InChI | InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8) |
| InChI Key | WRYNUOFZIOHDEB-UHFFFAOYSA-N |
| MDL Number | MFCD14658057 |
| Molecular Formula | C6H7N3O2 |
| Molecular Weight | 153.1387 |
| SMILES | C1(CC1)C1=NNC=C1[N+](=O)[O-] |
| Synonyms | 3-Cyclopropyl-4-nitro-1H-pyrazole,
1249581-67-6,
5-cyclopropyl-4-nitro-1H-pyrazole,
SCHEMBL2554448,
KS-00000TVQ,
WRYNUOFZIOHDEB-UHFFFAOYSA-N,
2-Cyclopropyl-3-nitro-1H-pyrazole,
MFCD16249530,
ZINC42415343,
AKOS010654828,
AKOS032960615,
MCULE-8983498829,
NE20319,
AK549009,
DS-19479,
K-1829,
Z1696871308,
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| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.141g/mol |
| Monoisotopic Mass | 153.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number