2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone

C15H24N2O — CID 82869017

IUPAC2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2ccn(C)n2)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)12-4-6-13(7-5-12)15(18)10-14-8-9-17(3)16-14/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyWAROBJVFBMQVOC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.99
Rot. Bonds4

About 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone

2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone (PubChem CID 82869017) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
PubChem CID82869017
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
SMILESCC(C)C1CCC(C(=O)Cc2ccn(C)n2)CC1
InChIInChI=1S/C15H24N2O/c1-11(2)12-4-6-13(7-5-12)15(18)10-14-8-9-17(3)16-14/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyWAROBJVFBMQVOC-UHFFFAOYSA-N
XLogP2.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
1-(azetidin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116583711
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
CID 82868765
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868647
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116580777
1-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-one
CID 64773472
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone (CID 82869017) is 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone is CC(C)C1CCC(C(=O)Cc2ccn(C)n2)CC1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
The InChIKey is WAROBJVFBMQVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)12-4-6-13(7-5-12)15(18)10-14-8-9-17(3)16-14/h8-9,11-13H,4-7,10H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone?
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone is sourced from PubChem (CID 82869017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).