(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one

C17H26N6O — CID 95978304

IUPAC(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)n2cncn2)n1
InChIInChI=1S/C17H26N6O/c1-12(2)16(23-11-18-10-19-23)17(24)21-7-5-6-15(21)9-22-14(4)8-13(3)20-22/h8,10-12,15-16H,5-7,9H2,1-4H3/t15-,16+/m0/s1
InChIKeyGSEACWLWMFGHCN-JKSUJKDBSA-N
MW330.44 g/mol
LogP1.98
Rot. Bonds5

About (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one

(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 95978304) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID95978304
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)n2cncn2)n1
InChIInChI=1S/C17H26N6O/c1-12(2)16(23-11-18-10-19-23)17(24)21-7-5-6-15(21)9-22-14(4)8-13(3)20-22/h8,10-12,15-16H,5-7,9H2,1-4H3/t15-,16+/m0/s1
InChIKeyGSEACWLWMFGHCN-JKSUJKDBSA-N
XLogP1.98
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-3-methyl-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95603832
(2S)-3-methyl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95603282
(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95602974
N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95605944
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95606132
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
(2R)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95603680
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 95351418
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605928
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351800
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one (CID 95978304) is (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C(C)C)n2cncn2)n1.
What is the InChIKey of (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is GSEACWLWMFGHCN-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N6O/c1-12(2)16(23-11-18-10-19-23)17(24)21-7-5-6-15(21)9-22-14(4)8-13(3)20-22/h8,10-12,15-16H,5-7,9H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one?
(2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 330.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-methyl-2-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 95978304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).