2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone

C12H18N2O — CID 65195414

IUPAC2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)CC2CCCCC2)n1
InChIInChI=1S/C12H18N2O/c1-14-8-7-11(13-14)12(15)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKeyPOWIKMDVHABMBS-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds3

About 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone

2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 65195414) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID65195414
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)CC2CCCCC2)n1
InChIInChI=1S/C12H18N2O/c1-14-8-7-11(13-14)12(15)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3
InChIKeyPOWIKMDVHABMBS-UHFFFAOYSA-N
XLogP2.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone (CID 65195414) is 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(C(=O)CC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is POWIKMDVHABMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-7-11(13-14)12(15)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone?
2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 65195414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).