3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide

C12H13N3O2 — CID 112691434

IUPAC3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2[nH]ncc2C)c1
InChIInChI=1S/C12H13N3O2/c1-8-7-13-15-11(8)14-12(16)9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyFNZBAUGJWNKKOK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.98
Rot. Bonds3

About 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide

3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide (PubChem CID 112691434) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
PubChem CID112691434
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2[nH]ncc2C)c1
InChIInChI=1S/C12H13N3O2/c1-8-7-13-15-11(8)14-12(16)9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyFNZBAUGJWNKKOK-UHFFFAOYSA-N
XLogP1.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324
2-hydroxy-5-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691144
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
N-(4-cyano-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 78913780
N-(5-iodo-2-methylphenyl)-3-methoxybenzamide
CID 1047120
N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-(3-bromo-4-hydroxy-5-methylphenyl)-3-methoxybenzamide
CID 91674531
N-(4-methyl-1H-pyrazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 112691395
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide (CID 112691434) is 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide is COc1cccc(C(=O)Nc2[nH]ncc2C)c1.
What is the InChIKey of 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is FNZBAUGJWNKKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-13-15-11(8)14-12(16)9-4-3-5-10(6-9)17-2/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide?
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 112691434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).