1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide

C25H22N4O2 — CID 154858723

IUPAC1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C25H22N4O2/c26-25(31)23-14-15-29(28-23)21-13-7-12-20(16-21)27-24(30)17-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,22H,17H2,(H2,26,31)(H,27,30)
InChIKeyFFAWOAABOFGBHT-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.13
Rot. Bonds7

About 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide

1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide (PubChem CID 154858723) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide
PubChem CID154858723
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1
InChIInChI=1S/C25H22N4O2/c26-25(31)23-14-15-29(28-23)21-13-7-12-20(16-21)27-24(30)17-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,22H,17H2,(H2,26,31)(H,27,30)
InChIKeyFFAWOAABOFGBHT-UHFFFAOYSA-N
XLogP4.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
ethyl 1-[3-[[2-[benzoyl(methyl)amino]acetyl]amino]phenyl]pyrazole-3-carboxylate
CID 55688446
1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 75417973
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
CID 51122600
1-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 38764020
ethyl 1-[3-[[2-(carbamoylamino)-3-methylbutanoyl]amino]phenyl]pyrazole-3-carboxylate
CID 55711421
3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426241
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide (CID 154858723) is 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide is NC(=O)c1ccn(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1.
What is the InChIKey of 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide?
The InChIKey is FFAWOAABOFGBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-25(31)23-14-15-29(28-23)21-13-7-12-20(16-21)27-24(30)17-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,22H,17H2,(H2,26,31)(H,27,30).
What are the key properties of 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide?
1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-diphenylpropanoylamino)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 154858723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).