N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide

C22H24N4O2 — CID 9227685

IUPACN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-3-14-23-21(27)16(2)24-22(28)19-15-26(18-12-8-5-9-13-18)25-20(19)17-10-6-4-7-11-17/h4-13,15-16H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyKVUBWMFYPZEMDW-MRXNPFEDSA-N
MW376.46 g/mol
LogP3.18
Rot. Bonds7

About N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide

N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 9227685) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID9227685
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-3-14-23-21(27)16(2)24-22(28)19-15-26(18-12-8-5-9-13-18)25-20(19)17-10-6-4-7-11-17/h4-13,15-16H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1
InChIKeyKVUBWMFYPZEMDW-MRXNPFEDSA-N
XLogP3.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dimethylphenyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 9227765
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-[(1S)-1-(furan-2-yl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 9481788
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
3-(4-chlorophenyl)-N-[(2S)-1-hydroxybutan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 7721800
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide (CID 9227685) is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide is CCCNC(=O)[C@@H](C)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is KVUBWMFYPZEMDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-14-23-21(27)16(2)24-22(28)19-15-26(18-12-8-5-9-13-18)25-20(19)17-10-6-4-7-11-17/h4-13,15-16H,3,14H2,1-2H3,(H,23,27)(H,24,28)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide?
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 9227685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).