4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C12H14N4O2 — CID 913152

IUPAC4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(N)cnn2C)cc1
InChIInChI=1S/C12H14N4O2/c1-16-11(10(13)7-14-16)12(17)15-8-3-5-9(18-2)6-4-8/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyJYZVQNAJCNKVAK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 913152) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID913152
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(N)cnn2C)cc1
InChIInChI=1S/C12H14N4O2/c1-16-11(10(13)7-14-16)12(17)15-8-3-5-9(18-2)6-4-8/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyJYZVQNAJCNKVAK-UHFFFAOYSA-N
XLogP1.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-nitro-N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-3-carboxamide
CID 703060
1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
4-bromo-1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4450244
N-(4-methoxyphenyl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916214
N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 5297390
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
5-chloro-N-[2-(4-methoxyanilino)-2-oxoethyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4293116
3-tert-butyl-N-(4-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 5174948
N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
4-Bromo-N-(2-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 604548
4-bromo-N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 708257

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 913152) is 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2c(N)cnn2C)cc1.
What is the InChIKey of 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JYZVQNAJCNKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-11(10(13)7-14-16)12(17)15-8-3-5-9(18-2)6-4-8/h3-7H,13H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 913152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).