N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide

C19H19N3O3 — CID 18141970

IUPACN-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(OC)c1
InChIInChI=1S/C19H19N3O3/c1-24-16-8-9-17(18(12-16)25-2)21-19(23)15-6-4-14(5-7-15)13-22-11-3-10-20-22/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyNOUKVEDKNUZKIP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.20
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 18141970) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID18141970
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(OC)c1
InChIInChI=1S/C19H19N3O3/c1-24-16-8-9-17(18(12-16)25-2)21-19(23)15-6-4-14(5-7-15)13-22-11-3-10-20-22/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyNOUKVEDKNUZKIP-UHFFFAOYSA-N
XLogP3.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-(diethylamino)-N-(2,4-dimethoxyphenyl)benzamide
CID 9120164
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55534682
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 18141970) is N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide is COc1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is NOUKVEDKNUZKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-8-9-17(18(12-16)25-2)21-19(23)15-6-4-14(5-7-15)13-22-11-3-10-20-22/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 18141970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).