(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O2 — CID 89476663

IUPAC(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2Cc2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-2-7-17-10-6-11-19(12-17)21-14-22(26-24(30)20-13-23(29)25-15-20)27-28(21)16-18-8-4-3-5-9-18/h3-6,8-12,14,20H,2,7,13,15-16H2,1H3,(H,25,29)(H,26,27,30)/t20-/m0/s1
InChIKeyFJDCCTNXYTTWLE-FQEVSTJZSA-N
MW402.50 g/mol
LogP3.63
Rot. Bonds7

About (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89476663) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89476663
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2Cc2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-2-7-17-10-6-11-19(12-17)21-14-22(26-24(30)20-13-23(29)25-15-20)27-28(21)16-18-8-4-3-5-9-18/h3-6,8-12,14,20H,2,7,13,15-16H2,1H3,(H,25,29)(H,26,27,30)/t20-/m0/s1
InChIKeyFJDCCTNXYTTWLE-FQEVSTJZSA-N
XLogP3.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89476663) is (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2Cc2ccccc2)c1.
What is the InChIKey of (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FJDCCTNXYTTWLE-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-7-17-10-6-11-19(12-17)21-14-22(26-24(30)20-13-23(29)25-15-20)27-28(21)16-18-8-4-3-5-9-18/h3-6,8-12,14,20H,2,7,13,15-16H2,1H3,(H,25,29)(H,26,27,30)/t20-/m0/s1.
What are the key properties of (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-benzyl-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89476663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).