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

C23H25N5O2 — CID 71287781

IUPAC(4R)-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-/m1/s1
InChIKeyVNKQIXCGXNDPOU-LJQANCHMSA-N
MW403.49 g/mol
LogP3.50
Rot. Bonds7

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

(4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 71287781) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID71287781
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(4R)-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-/m1/s1
InChIKeyVNKQIXCGXNDPOU-LJQANCHMSA-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

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Related Compounds

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1-Benzyl-3-(3-tert-butyl-1-phenylpyrazol-5-yl)urea
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(8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
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1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(2-phenylpyrazol-3-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide (CID 71287781) is (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4R)-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 (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is VNKQIXCGXNDPOU-LJQANCHMSA-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-/m1/s1.
What are the key properties of (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide?
(4R)-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 (4R)-N-[5-(3-butylphenyl)-1-phenylpyrazol-3-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71287781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).