N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide

C21H21ClN4O — CID 99741278

IUPACN-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1
InChIInChI=1S/C21H21ClN4O/c22-17-8-6-16(7-9-17)19-13-20(25-24-19)26-11-10-18(14-26)23-21(27)12-15-4-2-1-3-5-15/h1-9,13,18H,10-12,14H2,(H,23,27)(H,24,25)/t18-/m0/s1
InChIKeyMUHCHIJMDRZRBP-SFHVURJKSA-N
MW380.88 g/mol
LogP3.67
Rot. Bonds5

About N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide

N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 99741278) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
PubChem CID99741278
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1
InChIInChI=1S/C21H21ClN4O/c22-17-8-6-16(7-9-17)19-13-20(25-24-19)26-11-10-18(14-26)23-21(27)12-15-4-2-1-3-5-15/h1-9,13,18H,10-12,14H2,(H,23,27)(H,24,25)/t18-/m0/s1
InChIKeyMUHCHIJMDRZRBP-SFHVURJKSA-N
XLogP3.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide 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

N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 99740879
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741299
4-bromo-N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99744827
2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740846
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
CID 99740869
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741271
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-(dimethylamino)benzamide
CID 99741297
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-cyanobenzamide
CID 99741498

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide (CID 99741278) is N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1.
What is the InChIKey of N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is MUHCHIJMDRZRBP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-17-8-6-16(7-9-17)19-13-20(25-24-19)26-11-10-18(14-26)23-21(27)12-15-4-2-1-3-5-15/h1-9,13,18H,10-12,14H2,(H,23,27)(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide?
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 380.88 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 99741278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).