2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile

C17H20N4OS — CID 95766723

IUPAC2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
SMILESCc1cc(C)n(C[C@H]2CCCCN2C(=O)c2sccc2C#N)n1
InChIInChI=1S/C17H20N4OS/c1-12-9-13(2)21(19-12)11-15-5-3-4-7-20(15)17(22)16-14(10-18)6-8-23-16/h6,8-9,15H,3-5,7,11H2,1-2H3/t15-/m1/s1
InChIKeyOMSYPEUSAKHRHZ-OAHLLOKOSA-N
MW328.44 g/mol
LogP3.13
Rot. Bonds3

About 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile

2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile (PubChem CID 95766723) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
PubChem CID95766723
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
SMILESCc1cc(C)n(C[C@H]2CCCCN2C(=O)c2sccc2C#N)n1
InChIInChI=1S/C17H20N4OS/c1-12-9-13(2)21(19-12)11-15-5-3-4-7-20(15)17(22)16-14(10-18)6-8-23-16/h6,8-9,15H,3-5,7,11H2,1-2H3/t15-/m1/s1
InChIKeyOMSYPEUSAKHRHZ-OAHLLOKOSA-N
XLogP3.13
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95766705
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanone
CID 95350973
2-(tert-butylamino)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95766721
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95605886
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95602985

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile?
The IUPAC name of 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile (CID 95766723) is 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile is Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2sccc2C#N)n1.
What is the InChIKey of 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile?
The InChIKey is OMSYPEUSAKHRHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-12-9-13(2)21(19-12)11-15-5-3-4-7-20(15)17(22)16-14(10-18)6-8-23-16/h6,8-9,15H,3-5,7,11H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile?
2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile has a molecular weight of 328.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile is sourced from PubChem (CID 95766723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).