5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile

C15H16N4OS — CID 136530966

IUPAC5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile
SMILESCc1cc(C2CCN(C(=O)c3cc(C#N)cs3)CC2)n[nH]1
InChIInChI=1S/C15H16N4OS/c1-10-6-13(18-17-10)12-2-4-19(5-3-12)15(20)14-7-11(8-16)9-21-14/h6-7,9,12H,2-5H2,1H3,(H,17,18)
InChIKeyWNKGOZPYVVNXCV-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.67
Rot. Bonds2

About 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile

5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile (PubChem CID 136530966) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile
PubChem CID136530966
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile
SMILESCc1cc(C2CCN(C(=O)c3cc(C#N)cs3)CC2)n[nH]1
InChIInChI=1S/C15H16N4OS/c1-10-6-13(18-17-10)12-2-4-19(5-3-12)15(20)14-7-11(8-16)9-21-14/h6-7,9,12H,2-5H2,1H3,(H,17,18)
InChIKeyWNKGOZPYVVNXCV-UHFFFAOYSA-N
XLogP2.67
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127764086
4-[(2S)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 96514389
4-[1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 71926860
5-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl)thiophene-3-carbonitrile
CID 75377709
1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 139000061
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
4-cyclopentyl-2-methyl-5-[1-(4-methylthiophene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115010
2-[3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 118782975
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
(2,5-dimethylfuran-3-yl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004396
(2,5-dimethylfuran-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004395
(2S,3R)-1-(4-cyanothiophene-2-carbonyl)-3-(trifluoromethyl)piperidine-2-carboxylic acid
CID 166313170

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile (CID 136530966) is 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile is Cc1cc(C2CCN(C(=O)c3cc(C#N)cs3)CC2)n[nH]1.
What is the InChIKey of 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile?
The InChIKey is WNKGOZPYVVNXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-6-13(18-17-10)12-2-4-19(5-3-12)15(20)14-7-11(8-16)9-21-14/h6-7,9,12H,2-5H2,1H3,(H,17,18).
What are the key properties of 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile?
5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]thiophene-3-carbonitrile is sourced from PubChem (CID 136530966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).