2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone

C17H22N2OS — CID 114975042

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccn(C3CCCCC3)n2)sc1C
InChIInChI=1S/C17H22N2OS/c1-12-10-17(21-13(12)2)16(20)11-14-8-9-19(18-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3
InChIKeyFGWSGRARJDDQJQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.49
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone

2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone (PubChem CID 114975042) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
PubChem CID114975042
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccn(C3CCCCC3)n2)sc1C
InChIInChI=1S/C17H22N2OS/c1-12-10-17(21-13(12)2)16(20)11-14-8-9-19(18-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3
InChIKeyFGWSGRARJDDQJQ-UHFFFAOYSA-N
XLogP4.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
CID 64784881
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(4,5-dimethylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 114976174
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452
2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601990
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanone
CID 114975038
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
1-(4-bromo-3-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977474

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone (CID 114975042) is 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone is Cc1cc(C(=O)Cc2ccn(C3CCCCC3)n2)sc1C.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone?
The InChIKey is FGWSGRARJDDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12-10-17(21-13(12)2)16(20)11-14-8-9-19(18-14)15-6-4-3-5-7-15/h8-10,15H,3-7,11H2,1-2H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone?
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone has a molecular weight of 302.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone is sourced from PubChem (CID 114975042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).