(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol

C14H24N2O2 — CID 116755312

IUPAC(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
SMILESCCOC1(C(O)c2ccnn2C)CCCC(C)C1
InChIInChI=1S/C14H24N2O2/c1-4-18-14(8-5-6-11(2)10-14)13(17)12-7-9-15-16(12)3/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeyGCBUSKQWKQDZAZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.44
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol

(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 116755312) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID116755312
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
SMILESCCOC1(C(O)c2ccnn2C)CCCC(C)C1
InChIInChI=1S/C14H24N2O2/c1-4-18-14(8-5-6-11(2)10-14)13(17)12-7-9-15-16(12)3/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeyGCBUSKQWKQDZAZ-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
[1-(1-ethoxy-3-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103027135
(2-amino-3-pyridinyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755162
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645888
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114645895
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
CID 116755152
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol (CID 116755312) is (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol is CCOC1(C(O)c2ccnn2C)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is GCBUSKQWKQDZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-18-14(8-5-6-11(2)10-14)13(17)12-7-9-15-16(12)3/h7,9,11,13,17H,4-6,8,10H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 252.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 116755312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).