1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C15H26N2O2 — CID 103008613

IUPAC1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCOC1(C(O)CCc2cnn(C)c2)CCC(C)CC1
InChIInChI=1S/C15H26N2O2/c1-12-6-8-15(19-3,9-7-12)14(18)5-4-13-10-16-17(2)11-13/h10-12,14,18H,4-9H2,1-3H3
InChIKeyOXALCNKBDNOBSJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.31
Rot. Bonds5

About 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103008613) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103008613
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCOC1(C(O)CCc2cnn(C)c2)CCC(C)CC1
InChIInChI=1S/C15H26N2O2/c1-12-6-8-15(19-3,9-7-12)14(18)5-4-13-10-16-17(2)11-13/h10-12,14,18H,4-9H2,1-3H3
InChIKeyOXALCNKBDNOBSJ-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
[1-(1-methoxy-3-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027134
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103012565
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116766787
N,N,4-trimethyl-1-[1-(methylamino)-3-(1-methylpyrazol-4-yl)propyl]cyclohexan-1-amine
CID 103011177
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
1-[1-hydrazinyl-3-(1-methylpyrazol-4-yl)propyl]-N,N,4-trimethylcyclohexan-1-amine
CID 103026902
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103008613) is 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is COC1(C(O)CCc2cnn(C)c2)CCC(C)CC1.
What is the InChIKey of 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is OXALCNKBDNOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-6-8-15(19-3,9-7-12)14(18)5-4-13-10-16-17(2)11-13/h10-12,14,18H,4-9H2,1-3H3.
What are the key properties of 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103008613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).