(5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one

C17H17N5O — CID 141430354

IUPAC(5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc([C@@H]3CCC(=O)N3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C17H17N5O/c1-11-2-3-12(8-16(11)22-7-6-18-10-22)14-9-15(21-20-14)13-4-5-17(23)19-13/h2-3,6-10,13H,4-5H2,1H3,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyWOAYBJRBSQYWLN-ZDUSSCGKSA-N
MW307.36 g/mol
LogP2.52
Rot. Bonds3

About (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one

(5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one (PubChem CID 141430354) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one
PubChem CID141430354
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one
SMILESCc1ccc(-c2cc([C@@H]3CCC(=O)N3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C17H17N5O/c1-11-2-3-12(8-16(11)22-7-6-18-10-22)14-9-15(21-20-14)13-4-5-17(23)19-13/h2-3,6-10,13H,4-5H2,1H3,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyWOAYBJRBSQYWLN-ZDUSSCGKSA-N
XLogP2.52
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(3R)-1-[3-(1H-indol-6-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
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N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-3-(1H-pyrazol-1-yl)benzamide
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N-[(3-methylimidazol-4-yl)methyl]-2-(4-phenyl-1H-pyrazol-5-yl)-1H-indole-6-carboxamide
CID 136016385
2-(5-benzyl-1H-pyrazol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-6-carboxamide
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3-(2-methylimidazol-1-yl)-N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 155530863
3-(4-methylimidazol-1-yl)-N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 155544690
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CID 155565320
[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one (CID 141430354) is (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one is Cc1ccc(-c2cc([C@@H]3CCC(=O)N3)[nH]n2)cc1-n1ccnc1.
What is the InChIKey of (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one?
The InChIKey is WOAYBJRBSQYWLN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-2-3-12(8-16(11)22-7-6-18-10-22)14-9-15(21-20-14)13-4-5-17(23)19-13/h2-3,6-10,13H,4-5H2,1H3,(H,19,23)(H,20,21)/t13-/m0/s1.
What are the key properties of (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one?
(5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one has a molecular weight of 307.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 141430354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).