4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

C14H26N2O — CID 105122498

IUPAC4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCCC(CC)CC(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H26N2O/c1-6-12(7-2)8-13(17)9-14-10(3)15-16(5)11(14)4/h12-13,17H,6-9H2,1-5H3
InChIKeyMISCBXQOMKQNAD-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.77
Rot. Bonds6

About 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (PubChem CID 105122498) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
PubChem CID105122498
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCCC(CC)CC(O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C14H26N2O/c1-6-12(7-2)8-13(17)9-14-10(3)15-16(5)11(14)4/h12-13,17H,6-9H2,1-5H3
InChIKeyMISCBXQOMKQNAD-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105120573
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694
2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propane-1-thiol
CID 83930049
1-(2-propyl-1,2,4-triazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105109707
5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105088338
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
ethane;4-ethyl-1,3,5-trimethylpyrazole
CID 143917345
1-(2-bromo-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105100011

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The IUPAC name of 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (CID 105122498) is 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.
What is the SMILES notation for 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The canonical SMILES for 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is CCC(CC)CC(O)Cc1c(C)nn(C)c1C.
What is the InChIKey of 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The InChIKey is MISCBXQOMKQNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-12(7-2)8-13(17)9-14-10(3)15-16(5)11(14)4/h12-13,17H,6-9H2,1-5H3.
What are the key properties of 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol has a molecular weight of 238.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is sourced from PubChem (CID 105122498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).