3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H13N3O2 — CID 82829412

IUPAC3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1c(O)cccc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c1-8-10(3-2-4-11(8)16)12(17)13-5-9-6-14-15-7-9/h2-4,6-7,16H,5H2,1H3,(H,13,17)(H,14,15)
InChIKeyWAMXJSDULJIBMN-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.35
Rot. Bonds3

About 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide

3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 82829412) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID82829412
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESCc1c(O)cccc1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C12H13N3O2/c1-8-10(3-2-4-11(8)16)12(17)13-5-9-6-14-15-7-9/h2-4,6-7,16H,5H2,1H3,(H,13,17)(H,14,15)
InChIKeyWAMXJSDULJIBMN-UHFFFAOYSA-N
XLogP1.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
3-hydroxy-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829979
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
N-(furan-3-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 113342680

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 82829412) is 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is Cc1c(O)cccc1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is WAMXJSDULJIBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-10(3-2-4-11(8)16)12(17)13-5-9-6-14-15-7-9/h2-4,6-7,16H,5H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 82829412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).