1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

C17H30N2O — CID 105104488

IUPAC1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCCC1CCCC(C(O)CCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C17H30N2O/c1-5-14-7-6-8-15(11-14)17(20)10-9-16-12(2)18-19(4)13(16)3/h14-15,17,20H,5-11H2,1-4H3
InChIKeyHDCLKCZAPQCKBO-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.55
Rot. Bonds5

About 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol

1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (PubChem CID 105104488) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
PubChem CID105104488
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
SMILESCCC1CCCC(C(O)CCc2c(C)nn(C)c2C)C1
InChIInChI=1S/C17H30N2O/c1-5-14-7-6-8-15(11-14)17(20)10-9-16-12(2)18-19(4)13(16)3/h14-15,17,20H,5-11H2,1-4H3
InChIKeyHDCLKCZAPQCKBO-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155962
N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
1-cyclobutyl-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105187556
[1-cyclohexyl-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105282113
1-cyclopropyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105152911
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1-(1,3,5-trimethylpyrazol-4-yl)heptane-3,4-diol
CID 83930169
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-ethylcyclohexyl)ethyl]hydrazine
CID 105233011
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
CID 105110499
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870233
[1-cyclobutyl-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105340222

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol (CID 105104488) is 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is CCC1CCCC(C(O)CCc2c(C)nn(C)c2C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
The InChIKey is HDCLKCZAPQCKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-14-7-6-8-15(11-14)17(20)10-9-16-12(2)18-19(4)13(16)3/h14-15,17,20H,5-11H2,1-4H3.
What are the key properties of 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol?
1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 105104488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).