5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide

C11H12N4O2 — CID 16784714

IUPAC5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ccccc2)c(N)c1C(N)=O
InChIInChI=1S/C11H12N4O2/c1-17-11-8(10(13)16)9(12)15(14-11)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyNLKMKVBLOAHHQY-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.56
Rot. Bonds3

About 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide

5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide (PubChem CID 16784714) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
PubChem CID16784714
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
SMILESCOc1nn(-c2ccccc2)c(N)c1C(N)=O
InChIInChI=1S/C11H12N4O2/c1-17-11-8(10(13)16)9(12)15(14-11)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyNLKMKVBLOAHHQY-UHFFFAOYSA-N
XLogP0.56
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893
methyl 5-amino-3-methylsulfonyl-1-phenylpyrazole-4-carboxylate
CID 134094759
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
5-(4-imidazolidin-1-ylpiperidin-1-yl)-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 71486681
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
1-(3-methoxy-4-methyl-1-phenylpyrazol-5-yl)-3-methylurea
CID 123778473
methyl 5-amino-3-(2-methoxyethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808106
5-amino-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 25148512
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
5-amino-1-(6-methoxy-2-phenylpyrimidin-4-yl)-3-methylpyrazole-4-carboxamide
CID 171989037
ethyl 5-amino-1-(5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonyl)-3-methylsulfanylpyrazole-4-carboxylate
CID 16750657

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide (CID 16784714) is 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide is COc1nn(-c2ccccc2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide?
The InChIKey is NLKMKVBLOAHHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-11-8(10(13)16)9(12)15(14-11)7-5-3-2-4-6-7/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide?
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 16784714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).