1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C17H30N2O2 — CID 114633162

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCn1ncc(OC)c1C1(O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H30N2O2/c1-6-16(3,4)13-8-10-17(20,11-9-13)15-14(21-5)12-18-19(15)7-2/h12-13,20H,6-11H2,1-5H3
InChIKeyYSPVHAGZYRAPTH-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.73
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 114633162) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID114633162
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCn1ncc(OC)c1C1(O)CCC(C(C)(C)CC)CC1
InChIInChI=1S/C17H30N2O2/c1-6-16(3,4)13-8-10-17(20,11-9-13)15-14(21-5)12-18-19(15)7-2/h12-13,20H,6-11H2,1-5H3
InChIKeyYSPVHAGZYRAPTH-UHFFFAOYSA-N
XLogP3.73
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
CID 114636327
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633160
4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
CID 55078560
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429592
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635857
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429844
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114663585

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 114633162) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCn1ncc(OC)c1C1(O)CCC(C(C)(C)CC)CC1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is YSPVHAGZYRAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-16(3,4)13-8-10-17(20,11-9-13)15-14(21-5)12-18-19(15)7-2/h12-13,20H,6-11H2,1-5H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 114633162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).