2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol

C14H24N2O — CID 105498185

IUPAC2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C2CCCCCC2)c(C)c1CCO
InChIInChI=1S/C14H24N2O/c1-11-14(9-10-17)12(2)16(15-11)13-7-5-3-4-6-8-13/h13,17H,3-10H2,1-2H3
InChIKeyVBZVJVWWWKBTAP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.93
Rot. Bonds3

About 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol

2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 105498185) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
PubChem CID105498185
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C2CCCCCC2)c(C)c1CCO
InChIInChI=1S/C14H24N2O/c1-11-14(9-10-17)12(2)16(15-11)13-7-5-3-4-6-8-13/h13,17H,3-10H2,1-2H3
InChIKeyVBZVJVWWWKBTAP-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79225212
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 79225067
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 61272512
3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79224992
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoic acid
CID 65295795
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
CID 62730242
3-[3,5-dimethyl-1-(oxolan-3-yl)pyrazol-4-yl]propan-1-ol
CID 105482134
5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
CID 66023049
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 82930287
2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
CID 105498199
3-[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16789231

Frequently Asked Questions

What is the IUPAC name of 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol (CID 105498185) is 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol is Cc1nn(C2CCCCCC2)c(C)c1CCO.
What is the InChIKey of 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is VBZVJVWWWKBTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-14(9-10-17)12(2)16(15-11)13-7-5-3-4-6-8-13/h13,17H,3-10H2,1-2H3.
What are the key properties of 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol?
2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105498185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).