(4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

C23H25N5O2 — CID 89476579

IUPAC(4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H25N5O2/c1-2-3-8-16-9-7-10-17(13-16)20-14-21(26-22(29)19-15-24-23(30)25-19)27-28(20)18-11-5-4-6-12-18/h4-7,9-14,19H,2-3,8,15H2,1H3,(H2,24,25,30)(H,26,27,29)/t19-/m0/s1
InChIKeyVNKQIXCGXNDPOU-IBGZPJMESA-N
MW403.49 g/mol
LogP3.50
Rot. Bonds7

About (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 89476579) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID89476579
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1
InChIInChI=1S/C23H25N5O2/c1-2-3-8-16-9-7-10-17(13-16)20-14-21(26-22(29)19-15-24-23(30)25-19)27-28(20)18-11-5-4-6-12-18/h4-7,9-14,19H,2-3,8,15H2,1H3,(H2,24,25,30)(H,26,27,29)/t19-/m0/s1
InChIKeyVNKQIXCGXNDPOU-IBGZPJMESA-N
XLogP3.50
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 89476579) is (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is CCCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1.
What is the InChIKey of (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is VNKQIXCGXNDPOU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-3-8-16-9-7-10-17(13-16)20-14-21(26-22(29)19-15-24-23(30)25-19)27-28(20)18-11-5-4-6-12-18/h4-7,9-14,19H,2-3,8,15H2,1H3,(H2,24,25,30)(H,26,27,29)/t19-/m0/s1.
What are the key properties of (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 89476579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).