2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

C14H22N2O2 — CID 103450683

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCc1cc(CC(=O)C2(O)CCC(C)CC2)n(C)n1
InChIInChI=1S/C14H22N2O2/c1-10-4-6-14(18,7-5-10)13(17)9-12-8-11(2)15-16(12)3/h8,10,18H,4-7,9H2,1-3H3
InChIKeyDJRZSWVKRWOFTH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.78
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 103450683) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID103450683
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCc1cc(CC(=O)C2(O)CCC(C)CC2)n(C)n1
InChIInChI=1S/C14H22N2O2/c1-10-4-6-14(18,7-5-10)13(17)9-12-8-11(2)15-16(12)3/h8,10,18H,4-7,9H2,1-3H3
InChIKeyDJRZSWVKRWOFTH-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylcyclopentyl)ethanone
CID 114978838
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610214
1-(2,5-dimethylpyrazol-3-yl)-3-(1-methoxycyclobutyl)propan-2-one
CID 103558858
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750559
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
1-(1-hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
1-[1-(aminomethyl)-4-methylcyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116604110
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
1-[4-(aminomethyl)cyclohexyl]-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116592412

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 103450683) is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is Cc1cc(CC(=O)C2(O)CCC(C)CC2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is DJRZSWVKRWOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-6-14(18,7-5-10)13(17)9-12-8-11(2)15-16(12)3/h8,10,18H,4-7,9H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 103450683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).