2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide

C18H17N3O2 — CID 110664738

IUPAC2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cnn(C)c1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-21-17(13-8-4-3-5-9-13)15(12-19-21)20-18(22)14-10-6-7-11-16(14)23-2/h3-12H,1-2H3,(H,20,22)
InChIKeyICOSCJQHUGDHGL-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.35
Rot. Bonds4

About 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide

2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide (PubChem CID 110664738) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
PubChem CID110664738
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cnn(C)c1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-21-17(13-8-4-3-5-9-13)15(12-19-21)20-18(22)14-10-6-7-11-16(14)23-2/h3-12H,1-2H3,(H,20,22)
InChIKeyICOSCJQHUGDHGL-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664717
N-(2-hydroxy-5-phenylphenyl)-2-methoxybenzamide
CID 3265384
N-(1-methyl-5-phenylpyrazol-4-yl)butanamide
CID 110664720
4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406266
N-(2-acetamidophenyl)-2-methoxybenzamide
CID 113093661
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
N-(1-methyl-5-phenylpyrazol-4-yl)cyclobutanecarboxamide
CID 110664769
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 86787813

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide (CID 110664738) is 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide is COc1ccccc1C(=O)Nc1cnn(C)c1-c1ccccc1.
What is the InChIKey of 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
The InChIKey is ICOSCJQHUGDHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-17(13-8-4-3-5-9-13)15(12-19-21)20-18(22)14-10-6-7-11-16(14)23-2/h3-12H,1-2H3,(H,20,22).
What are the key properties of 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide?
2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 110664738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).