5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile

C15H16N4OS — CID 136512716

IUPAC5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile
SMILESCn1cc(C2CCN(C(=O)c3ccc(C#N)s3)CC2)cn1
InChIInChI=1S/C15H16N4OS/c1-18-10-12(9-17-18)11-4-6-19(7-5-11)15(20)14-3-2-13(8-16)21-14/h2-3,9-11H,4-7H2,1H3
InChIKeyGORMBUDAOUOFKB-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.37
Rot. Bonds2

About 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile

5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile (PubChem CID 136512716) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile
PubChem CID136512716
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile
SMILESCn1cc(C2CCN(C(=O)c3ccc(C#N)s3)CC2)cn1
InChIInChI=1S/C15H16N4OS/c1-18-10-12(9-17-18)11-4-6-19(7-5-11)15(20)14-3-2-13(8-16)21-14/h2-3,9-11H,4-7H2,1H3
InChIKeyGORMBUDAOUOFKB-UHFFFAOYSA-N
XLogP2.37
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699
N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167962588
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-[3-(methylsulfinylmethyl)-1-benzothiophen-2-yl]methanone
CID 166188626
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 166211367
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606796
3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 166244271
2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 120597079
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570
(2-hydroxy-4-nitrophenyl)-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99855955
N-(3-bromo-4-pyridinyl)-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 136521848
2,2-difluoro-2-(4-methoxyphenyl)-1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 75389719

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile (CID 136512716) is 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile is Cn1cc(C2CCN(C(=O)c3ccc(C#N)s3)CC2)cn1.
What is the InChIKey of 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile?
The InChIKey is GORMBUDAOUOFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-18-10-12(9-17-18)11-4-6-19(7-5-11)15(20)14-3-2-13(8-16)21-14/h2-3,9-11H,4-7H2,1H3.
What are the key properties of 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile?
5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile has a molecular weight of 300.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]thiophene-2-carbonitrile is sourced from PubChem (CID 136512716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).