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

C15H22N6O2 — CID 95736035

IUPAC(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1c([C@H]2CCCN2C(=O)[C@H](C)n2cncn2)c(C)nn1C
InChIInChI=1S/C15H22N6O2/c1-10-13(15(23-4)19(3)18-10)12-6-5-7-20(12)14(22)11(2)21-9-16-8-17-21/h8-9,11-12H,5-7H2,1-4H3/t11-,12+/m0/s1
InChIKeyIBNVOWOXLOOLAW-NWDGAFQWSA-N
MW318.38 g/mol
LogP1.25
Rot. Bonds4

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

(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 95736035) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID95736035
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1c([C@H]2CCCN2C(=O)[C@H](C)n2cncn2)c(C)nn1C
InChIInChI=1S/C15H22N6O2/c1-10-13(15(23-4)19(3)18-10)12-6-5-7-20(12)14(22)11(2)21-9-16-8-17-21/h8-9,11-12H,5-7H2,1-4H3/t11-,12+/m0/s1
InChIKeyIBNVOWOXLOOLAW-NWDGAFQWSA-N
XLogP1.25
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-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)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95736074
(2R)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 98767444
(2S)-N-cyclopentyl-2-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95750877
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95767630
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 97001743
1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95736099
(2-cyclopropyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736144
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461477
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95736080
(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736113

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 95736035) is (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is COc1c([C@H]2CCCN2C(=O)[C@H](C)n2cncn2)c(C)nn1C.
What is the InChIKey of (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is IBNVOWOXLOOLAW-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-10-13(15(23-4)19(3)18-10)12-6-5-7-20(12)14(22)11(2)21-9-16-8-17-21/h8-9,11-12H,5-7H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 318.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 95736035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).