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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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).