5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

C11H12N4O2 — CID 82547033

IUPAC5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(O)c2)c1N
InChIInChI=1S/C11H12N4O2/c1-15-10(12)9(6-13-15)11(17)14-7-3-2-4-8(16)5-7/h2-6,16H,12H2,1H3,(H,14,17)
InChIKeyQGYOQCAJFGHCCX-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.96
Rot. Bonds2

About 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 82547033) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID82547033
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cccc(O)c2)c1N
InChIInChI=1S/C11H12N4O2/c1-15-10(12)9(6-13-15)11(17)14-7-3-2-4-8(16)5-7/h2-6,16H,12H2,1H3,(H,14,17)
InChIKeyQGYOQCAJFGHCCX-UHFFFAOYSA-N
XLogP0.96
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 104939258
5-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 82546319
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947367
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (CID 82547033) is 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cccc(O)c2)c1N.
What is the InChIKey of 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is QGYOQCAJFGHCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-10(12)9(6-13-15)11(17)14-7-3-2-4-8(16)5-7/h2-6,16H,12H2,1H3,(H,14,17).
What are the key properties of 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 82547033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).