(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol

C13H22N2O — CID 106830881

IUPAC(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
SMILESCCn1nccc1C(O)C1(C)CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-15-11(7-10-14-15)12(16)13(2)8-5-4-6-9-13/h7,10,12,16H,3-6,8-9H2,1-2H3
InChIKeyHDMLUXQWNHPJPY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.91
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol

(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol (PubChem CID 106830881) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
PubChem CID106830881
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
SMILESCCn1nccc1C(O)C1(C)CCCCC1
InChIInChI=1S/C13H22N2O/c1-3-15-11(7-10-14-15)12(16)13(2)8-5-4-6-9-13/h7,10,12,16H,3-6,8-9H2,1-2H3
InChIKeyHDMLUXQWNHPJPY-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cycloheptane-1-carbonitrile
CID 114558118
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 114558116
[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755731
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
[(2-ethylpyrazol-3-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253445
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684949
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol (CID 106830881) is (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol is CCn1nccc1C(O)C1(C)CCCCC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol?
The InChIKey is HDMLUXQWNHPJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-15-11(7-10-14-15)12(16)13(2)8-5-4-6-9-13/h7,10,12,16H,3-6,8-9H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol?
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol has a molecular weight of 222.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 106830881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).