4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide

C29H30N4O4 — CID 46441310

IUPAC4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H30N4O4/c1-5-27(34)31-22-14-11-20(12-15-22)19(2)30-29(35)28-24(18-33(32-28)23-9-7-6-8-10-23)21-13-16-25(36-3)26(17-21)37-4/h6-19H,5H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyPJJZPJBPQKZTFB-UHFFFAOYSA-N
MW498.58 g/mol
LogP5.40
Rot. Bonds9

About 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide

4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide (PubChem CID 46441310) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
PubChem CID46441310
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C29H30N4O4/c1-5-27(34)31-22-14-11-20(12-15-22)19(2)30-29(35)28-24(18-33(32-28)23-9-7-6-8-10-23)21-13-16-25(36-3)26(17-21)37-4/h6-19H,5H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyPJJZPJBPQKZTFB-UHFFFAOYSA-N
XLogP5.40
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(3,4-dimethoxyphenyl)-N-[1-(2-fluorophenyl)ethyl]-1-phenylpyrazole-3-carboxamide
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4-(3,4-dimethoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 55495112
N-[4-(tert-butylcarbamoyl)phenyl]-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 38257122
4-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 16594232
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CID 25398478
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate
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4-(3,4-dimethoxyphenyl)-1-phenyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 24622479
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide (CID 46441310) is 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2nn(-c3ccccc3)cc2-c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is PJJZPJBPQKZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-5-27(34)31-22-14-11-20(12-15-22)19(2)30-29(35)28-24(18-33(32-28)23-9-7-6-8-10-23)21-13-16-25(36-3)26(17-21)37-4/h6-19H,5H2,1-4H3,(H,30,35)(H,31,34).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1-phenyl-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46441310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).