2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone

C17H21N3O — CID 64784881

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H21N3O/c1-13-6-5-10-18-17(13)16(21)12-14-9-11-20(19-14)15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8,12H2,1H3
InChIKeyVEIWJKPWCYBLTK-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.52
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone (PubChem CID 64784881) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
PubChem CID64784881
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H21N3O/c1-13-6-5-10-18-17(13)16(21)12-14-9-11-20(19-14)15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8,12H2,1H3
InChIKeyVEIWJKPWCYBLTK-UHFFFAOYSA-N
XLogP3.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105107346
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dimethylphenyl)ethanone
CID 114977377
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
2-(1-cyclohexylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)ethanone
CID 114975042
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanol
CID 64785093
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
1-(1-cyclohexylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-one
CID 64783174
1-[2-(aminomethyl)-4-pyridinyl]-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 116601990
2-(1-cyclohexylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105104785
1-(cyclopentylamino)-3-(1-cyclopentylpyrazol-3-yl)propan-2-one
CID 116559185
1-(2-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 114977452

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone (CID 64784881) is 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1C(=O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is VEIWJKPWCYBLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-6-5-10-18-17(13)16(21)12-14-9-11-20(19-14)15-7-3-2-4-8-15/h5-6,9-11,15H,2-4,7-8,12H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone?
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 3.52, 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-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 64784881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).