N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide

C24H21N3O3 — CID 11553077

IUPACN-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C24H21N3O3/c1-29-21-14-13-18(15-22(21)30-2)24(28)25-23-16-20(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28)
InChIKeyJWHFOFADEMFGMO-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.81
Rot. Bonds6

About N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide

N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide (PubChem CID 11553077) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide
PubChem CID11553077
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1OC
InChIInChI=1S/C24H21N3O3/c1-29-21-14-13-18(15-22(21)30-2)24(28)25-23-16-20(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28)
InChIKeyJWHFOFADEMFGMO-UHFFFAOYSA-N
XLogP4.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-3-tert-butyl-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 135417938
N-[6-[(3,4-dimethoxybenzoyl)amino]pyridin-2-yl]-3,4-dimethoxybenzamide
CID 1293762
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
(5-Amino-3-methyl-4-phenylpyrazol-1-yl)(benzo[1,3]dioxol-5-yl)methanone
CID 712995
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
3,4,5-trimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 1378646
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide (CID 11553077) is N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1OC.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide?
The InChIKey is JWHFOFADEMFGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-21-14-13-18(15-22(21)30-2)24(28)25-23-16-20(17-9-5-3-6-10-17)26-27(23)19-11-7-4-8-12-19/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide?
N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide has a molecular weight of 399.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 11553077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).