1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C15H26N2O2 — CID 103008601

IUPAC1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCCOC1(C(O)CCc2cnn(C)c2)CCCCC1
InChIInChI=1S/C15H26N2O2/c1-3-19-15(9-5-4-6-10-15)14(18)8-7-13-11-16-17(2)12-13/h11-12,14,18H,3-10H2,1-2H3
InChIKeyKPOCGMHCFFSBST-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.45
Rot. Bonds6

About 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103008601) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103008601
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCCOC1(C(O)CCc2cnn(C)c2)CCCCC1
InChIInChI=1S/C15H26N2O2/c1-3-19-15(9-5-4-6-10-15)14(18)8-7-13-11-16-17(2)12-13/h11-12,14,18H,3-10H2,1-2H3
InChIKeyKPOCGMHCFFSBST-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
1-(1-ethoxy-4-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 116754734
1-(1-methoxy-4-methylcyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008613
3-(1-methylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)propan-1-ol
CID 103008326
1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048191
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
[1-(1-methoxycyclopentyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103027057
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029892

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103008601) is 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is CCOC1(C(O)CCc2cnn(C)c2)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is KPOCGMHCFFSBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-19-15(9-5-4-6-10-15)14(18)8-7-13-11-16-17(2)12-13/h11-12,14,18H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103008601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).