| CAS Number | 72760-87-3 |
| Catalog Number | AG00FHLI(AGN-PC-0WNNFO) |
| Chemical Name | 5-Amino-3-methoxy-1H-pyrazole-4-carbonitrile |
| IUPAC Name | 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile |
| InChI | InChI=1S/C5H6N4O/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9) |
| InChI Key | LBMAZPZMEWQBPR-UHFFFAOYSA-N |
| MDL Number | MFCD09702270 |
| Molecular Formula | C5H6N4O |
| Molecular Weight | 138.1273 |
| SMILES | NC1=C(C(=NN1)OC)C#N |
| Synonyms | 5-amino-3-methoxy-1H-pyrazole-4-carbonitrile,
72760-87-3,
3-Amino-5-methoxy-1H-pyrazole-4-carbonitrile,
AC1Q4FCD,
SCHEMBL174989,
SCHEMBL11344256,
CTK7B1950,
LBMAZPZMEWQBPR-UHFFFAOYSA-N,
MFCD19159542,
ZINC17797175,
AKOS000139896,
AKOS006221410,
EH00343,
PB32746,
AS-51375,
CS-0051544,
EN300-36977,
Q-2469,
5-Amino-3-methoxy-1H-pyrazole-4-carbonitrile, AldrichCPR,
N/A,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.13g/mol |
| Monoisotopic Mass | 138.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number