[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C20H23N5O — CID 95308670

IUPAC[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)n1
InChIInChI=1S/C20H23N5O/c1-14-11-15(2)25(22-14)18-8-6-16(7-9-18)20(26)24-10-4-5-19(24)17-12-21-23(3)13-17/h6-9,11-13,19H,4-5,10H2,1-3H3/t19-/m0/s1
InChIKeyNDICMECVMLYXIR-IBGZPJMESA-N
MW349.44 g/mol
LogP3.20
Rot. Bonds3

About [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95308670) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95308670
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)n1
InChIInChI=1S/C20H23N5O/c1-14-11-15(2)25(22-14)18-8-6-16(7-9-18)20(26)24-10-4-5-19(24)17-12-21-23(3)13-17/h6-9,11-13,19H,4-5,10H2,1-3H3/t19-/m0/s1
InChIKeyNDICMECVMLYXIR-IBGZPJMESA-N
XLogP3.20
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 119634488
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95977725
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
1-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-4-one
CID 136567087

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95308670) is [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc2)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NDICMECVMLYXIR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-11-15(2)25(22-14)18-8-6-16(7-9-18)20(26)24-10-4-5-19(24)17-12-21-23(3)13-17/h6-9,11-13,19H,4-5,10H2,1-3H3/t19-/m0/s1.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95308670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).