(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide

C20H20N4O — CID 171348559

IUPAC(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(19-13-21-12-18(19)15-4-2-1-3-5-15)24-17-8-6-14(7-9-17)16-10-22-23-11-16/h1-11,18-19,21H,12-13H2,(H,22,23)(H,24,25)/t18-,19+/m0/s1
InChIKeyYVNXUGXCJUQNLQ-RBUKOAKNSA-N
MW332.41 g/mol
LogP3.02
Rot. Bonds4

About (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide

(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 171348559) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID171348559
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@@H]1CNC[C@H]1c1ccccc1
InChIInChI=1S/C20H20N4O/c25-20(19-13-21-12-18(19)15-4-2-1-3-5-15)24-17-8-6-14(7-9-17)16-10-22-23-11-16/h1-11,18-19,21H,12-13H2,(H,22,23)(H,24,25)/t18-,19+/m0/s1
InChIKeyYVNXUGXCJUQNLQ-RBUKOAKNSA-N
XLogP3.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136218660
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
Rock-IN-D3
CID 68520643
1-[(3-methylphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561683
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-[(3-aminophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562627
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563753
N-(4-(1H-Pyrazol-4-yl)phenyl)-3-phenylpropanamide
CID 70896884
1-phenyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654759

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide (CID 171348559) is (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2cn[nH]c2)cc1)[C@@H]1CNC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is YVNXUGXCJUQNLQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(19-13-21-12-18(19)15-4-2-1-3-5-15)24-17-8-6-14(7-9-17)16-10-22-23-11-16/h1-11,18-19,21H,12-13H2,(H,22,23)(H,24,25)/t18-,19+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide?
(3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171348559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).