3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

C28H29N3O3 — CID 4262770

IUPAC3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)n(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C28H29N3O3/c1-20(14-15-21-10-6-4-7-11-21)29-28(32)26-19-25(30-31(26)22-12-8-5-9-13-22)24-17-16-23(33-2)18-27(24)34-3/h4-13,16-20H,14-15H2,1-3H3,(H,29,32)
InChIKeyPNZJWMMZKICAOO-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.31
Rot. Bonds9

About 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (PubChem CID 4262770) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
PubChem CID4262770
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)n(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C28H29N3O3/c1-20(14-15-21-10-6-4-7-11-21)29-28(32)26-19-25(30-31(26)22-12-8-5-9-13-22)24-17-16-23(33-2)18-27(24)34-3/h4-13,16-20H,14-15H2,1-3H3,(H,29,32)
InChIKeyPNZJWMMZKICAOO-UHFFFAOYSA-N
XLogP5.31
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(1,2-diphenylethyl)-1-phenylpyrazole-5-carboxamide
CID 4693927
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
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-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (CID 4262770) is 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)CCc3ccccc3)n(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The InChIKey is PNZJWMMZKICAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-20(14-15-21-10-6-4-7-11-21)29-28(32)26-19-25(30-31(26)22-12-8-5-9-13-22)24-17-16-23(33-2)18-27(24)34-3/h4-13,16-20H,14-15H2,1-3H3,(H,29,32).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.31, 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)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).