(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol

C15H26N2O2 — CID 116755731

IUPAC(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCCn1nccc1C(O)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H26N2O2/c1-5-17-12(6-11-16-17)13(18)15(19-4)9-7-14(2,3)8-10-15/h6,11,13,18H,5,7-10H2,1-4H3
InChIKeyTWBHVYSRXJUGOC-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.92
Rot. Bonds4

About (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol

(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol (PubChem CID 116755731) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
PubChem CID116755731
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
SMILESCCn1nccc1C(O)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H26N2O2/c1-5-17-12(6-11-16-17)13(18)15(19-4)9-7-14(2,3)8-10-15/h6,11,13,18H,5,7-10H2,1-4H3
InChIKeyTWBHVYSRXJUGOC-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755712
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
(2,2-dimethylcyclopentyl)-(2-ethylpyrazol-3-yl)methanol
CID 107192287
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cycloheptane-1-carbonitrile
CID 114558118
1-[(2-ethylpyrazol-3-yl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 114558116
1-cyclopropyl-2-(2-ethylpyrazol-3-yl)ethane-1,2-diol
CID 103456908
(3-ethyltriazol-4-yl)-(1-methoxycycloheptyl)methanol
CID 114213130
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
[(2-ethylpyrazol-3-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253445
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The IUPAC name of (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol (CID 116755731) is (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol is CCn1nccc1C(O)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
The InChIKey is TWBHVYSRXJUGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-17-12(6-11-16-17)13(18)15(19-4)9-7-14(2,3)8-10-15/h6,11,13,18H,5,7-10H2,1-4H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol?
(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol has a molecular weight of 266.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 116755731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).