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

C23H23ClN4O2 — CID 89477020

IUPAC(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C23H23ClN4O2/c1-2-5-15-6-3-7-16(10-15)20-13-21(26-23(30)17-11-22(29)25-14-17)27-28(20)19-9-4-8-18(24)12-19/h3-4,6-10,12-13,17H,2,5,11,14H2,1H3,(H,25,29)(H,26,27,30)/t17-/m0/s1
InChIKeyNQRDGMBBAQMNDH-KRWDZBQOSA-N
MW422.92 g/mol
LogP4.22
Rot. Bonds6

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

(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 89477020) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID89477020
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1
InChIInChI=1S/C23H23ClN4O2/c1-2-5-15-6-3-7-16(10-15)20-13-21(26-23(30)17-11-22(29)25-14-17)27-28(20)19-9-4-8-18(24)12-19/h3-4,6-10,12-13,17H,2,5,11,14H2,1H3,(H,25,29)(H,26,27,30)/t17-/m0/s1
InChIKeyNQRDGMBBAQMNDH-KRWDZBQOSA-N
XLogP4.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 89477020) is (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(Cl)c2)c1.
What is the InChIKey of (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NQRDGMBBAQMNDH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-2-5-15-6-3-7-16(10-15)20-13-21(26-23(30)17-11-22(29)25-14-17)27-28(20)19-9-4-8-18(24)12-19/h3-4,6-10,12-13,17H,2,5,11,14H2,1H3,(H,25,29)(H,26,27,30)/t17-/m0/s1.
What are the key properties of (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-chlorophenyl)-5-(3-propylphenyl)pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 89477020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).