(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

C25H28N4O2 — CID 92579894

IUPAC(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C25H28N4O2/c1-18(2)27-24(31)25(13-15-29(17-25)23(30)22-12-14-26-28-22)16-20-10-6-7-11-21(20)19-8-4-3-5-9-19/h3-12,14,18H,13,15-17H2,1-2H3,(H,26,28)(H,27,31)/t25-/m1/s1
InChIKeyOBJRMBHAFGEXSM-RUZDIDTESA-N
MW416.53 g/mol
LogP3.68
Rot. Bonds6

About (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide

(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 92579894) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID92579894
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C25H28N4O2/c1-18(2)27-24(31)25(13-15-29(17-25)23(30)22-12-14-26-28-22)16-20-10-6-7-11-21(20)19-8-4-3-5-9-19/h3-12,14,18H,13,15-17H2,1-2H3,(H,26,28)(H,27,31)/t25-/m1/s1
InChIKeyOBJRMBHAFGEXSM-RUZDIDTESA-N
XLogP3.68
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-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

(3S)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 92579896
(3R)-N-ethyl-3-[(2-phenylphenyl)methyl]-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92592029
N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229653
N-ethyl-1-(1H-pyrazole-5-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231842
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909
(3R)-1-[(2R)-oxane-2-carbonyl]-3-[(2-phenylphenyl)methyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92579797
1-(2-cyclohexylacetyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231067
(3R)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579913
(3S)-1-benzoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579912
1-propanoyl-N-propan-2-yl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620731
1-(cyclobutanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231737
(3S)-1-(3,3-dimethylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579621

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide (CID 92579894) is (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide is CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is OBJRMBHAFGEXSM-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18(2)27-24(31)25(13-15-29(17-25)23(30)22-12-14-26-28-22)16-20-10-6-7-11-21(20)19-8-4-3-5-9-19/h3-12,14,18H,13,15-17H2,1-2H3,(H,26,28)(H,27,31)/t25-/m1/s1.
What are the key properties of (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide?
(3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-phenylphenyl)methyl]-N-propan-2-yl-1-(1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92579894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).