3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide

C32H29N3O3 — CID 4693927

IUPAC3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)n(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C32H29N3O3/c1-37-26-18-19-27(31(21-26)38-2)29-22-30(35(34-29)25-16-10-5-11-17-25)32(36)33-28(24-14-8-4-9-15-24)20-23-12-6-3-7-13-23/h3-19,21-22,28H,20H2,1-2H3,(H,33,36)
InChIKeyXGYWGHZRHIXPPV-UHFFFAOYSA-N
MW503.60 g/mol
LogP6.27
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 4693927) has the molecular formula C32H29N3O3 and a molecular weight of 503.60 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
PubChem CID4693927
Molecular FormulaC32H29N3O3
Molecular Weight503.60 g/mol
Exact Mass503.22
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)n(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C32H29N3O3/c1-37-26-18-19-27(31(21-26)38-2)29-22-30(35(34-29)25-16-10-5-11-17-25)32(36)33-28(24-14-8-4-9-15-24)20-23-12-6-3-7-13-23/h3-19,21-22,28H,20H2,1-2H3,(H,33,36)
InChIKeyXGYWGHZRHIXPPV-UHFFFAOYSA-N
XLogP6.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
1-(3,4-dichlorophenyl)-N-[(1S)-1,2-diphenylethyl]-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 98425704
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 3594843
N-benzyl-3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3332427
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide (CID 4693927) is 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(Cc3ccccc3)c3ccccc3)n(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is XGYWGHZRHIXPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3/c1-37-26-18-19-27(31(21-26)38-2)29-22-30(35(34-29)25-16-10-5-11-17-25)32(36)33-28(24-14-8-4-9-15-24)20-23-12-6-3-7-13-23/h3-19,21-22,28H,20H2,1-2H3,(H,33,36).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 4693927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).