4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide

C11H12N4O2 — CID 164587081

IUPAC4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCn1cc(Nc2cc(O)ccc2C(N)=O)cn1
InChIInChI=1S/C11H12N4O2/c1-15-6-7(5-13-15)14-10-4-8(16)2-3-9(10)11(12)17/h2-6,14,16H,1H3,(H2,12,17)
InChIKeyLOABYVNSPJYGOK-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.97
Rot. Bonds3

About 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide

4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide (PubChem CID 164587081) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide
PubChem CID164587081
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCn1cc(Nc2cc(O)ccc2C(N)=O)cn1
InChIInChI=1S/C11H12N4O2/c1-15-6-7(5-13-15)14-10-4-8(16)2-3-9(10)11(12)17/h2-6,14,16H,1H3,(H2,12,17)
InChIKeyLOABYVNSPJYGOK-UHFFFAOYSA-N
XLogP0.97
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(1-methylpyrazol-4-yl)amino]benzamide
CID 57334335
2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
CID 61305903
2-methyl-4-[(1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 81276848
4-[(4-hydroxyphenyl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 154628243
3-amino-4-[(1-methylpyrazol-4-yl)amino]benzoic acid
CID 54888093
N-(2-carbamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 47011305
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
CID 23212800
6-[(1-methylpyrazol-4-yl)amino]pyridazine-3-carboxylic acid
CID 60792259
3-bromo-4-[(1-methylpyrazol-4-yl)amino]benzoic acid
CID 82801089
2-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-4-pyridinyl]amino]methyl]benzamide
CID 90842896
2-methyl-1-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
CID 79770283
N-(2,4-dimethylphenyl)-1-methylpyrazol-4-amine
CID 125449684

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide?
The IUPAC name of 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide (CID 164587081) is 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide is Cn1cc(Nc2cc(O)ccc2C(N)=O)cn1.
What is the InChIKey of 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide?
The InChIKey is LOABYVNSPJYGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-6-7(5-13-15)14-10-4-8(16)2-3-9(10)11(12)17/h2-6,14,16H,1H3,(H2,12,17).
What are the key properties of 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide?
4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide has a molecular weight of 232.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 164587081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).