(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide

C24H26N4O2 — CID 92575779

IUPAC(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C24H26N4O2/c25-23(30)24(12-16-27(18-24)22(29)11-15-28-14-6-13-26-28)17-20-9-4-5-10-21(20)19-7-2-1-3-8-19/h1-10,13-14H,11-12,15-18H2,(H2,25,30)/t24-/m1/s1
InChIKeyGTPOKFPSEXXMMQ-XMMPIXPASA-N
MW402.50 g/mol
LogP2.89
Rot. Bonds7

About (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide

(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide (PubChem CID 92575779) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
PubChem CID92575779
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C24H26N4O2/c25-23(30)24(12-16-27(18-24)22(29)11-15-28-14-6-13-26-28)17-20-9-4-5-10-21(20)19-7-2-1-3-8-19/h1-10,13-14H,11-12,15-18H2,(H2,25,30)/t24-/m1/s1
InChIKeyGTPOKFPSEXXMMQ-XMMPIXPASA-N
XLogP2.89
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
(3R)-1-[2-(2-methoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92601435
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470
(3S)-1-[2-(4-ethoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92593612
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
3-[[2-(2-fluorophenyl)phenyl]methyl]-1-(3-phenylpropanoyl)pyrrolidine-3-carboxamide
CID 110231021
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331
(3R)-1-[2-(4-methoxyphenyl)acetyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92595440
3-amino-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 107322936
(3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92596157
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
1-(2-phenoxyacetyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360841

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide (CID 92575779) is (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide is NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCn2cccn2)C1.
What is the InChIKey of (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
The InChIKey is GTPOKFPSEXXMMQ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N4O2/c25-23(30)24(12-16-27(18-24)22(29)11-15-28-14-6-13-26-28)17-20-9-4-5-10-21(20)19-7-2-1-3-8-19/h1-10,13-14H,11-12,15-18H2,(H2,25,30)/t24-/m1/s1.
What are the key properties of (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide?
(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92575779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).