4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide

C12H11N5O2 — CID 107466425

IUPAC4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H11N5O2/c1-19-9-4-2-3-7(5-13)10(9)16-12(18)11-8(14)6-15-17-11/h2-4,6H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyGKSQPBJYTNLYKF-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.12
Rot. Bonds3

About 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 107466425) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID107466425
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)c1[nH]ncc1N
InChIInChI=1S/C12H11N5O2/c1-19-9-4-2-3-7(5-13)10(9)16-12(18)11-8(14)6-15-17-11/h2-4,6H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyGKSQPBJYTNLYKF-UHFFFAOYSA-N
XLogP1.12
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
5-amino-N-(2-cyano-6-methoxyphenyl)pyridine-2-carboxamide
CID 107466429
2,4-diamino-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107466376
6-amino-N-(2-cyano-6-methoxyphenyl)pyridazine-3-carboxamide
CID 107469830
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107468982
4-amino-N-(2,6-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 63107429
N-(2-cyano-6-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 107467316
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
N-(2-cyano-6-methoxyphenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 107468124
2-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)pyridine-4-carboxamide
CID 107467795
4-(chloromethyl)-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107467181

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 107466425) is 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(C#N)c1NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GKSQPBJYTNLYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-19-9-4-2-3-7(5-13)10(9)16-12(18)11-8(14)6-15-17-11/h2-4,6H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107466425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).