6-(1-ethylpyrazol-4-yl)hexan-3-ol

C11H20N2O — CID 64514398

IUPAC6-(1-ethylpyrazol-4-yl)hexan-3-ol
SMILESCCC(O)CCCc1cnn(CC)c1
InChIInChI=1S/C11H20N2O/c1-3-11(14)7-5-6-10-8-12-13(4-2)9-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyMAYITCPSDYNIOC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.00
Rot. Bonds6

About 6-(1-ethylpyrazol-4-yl)hexan-3-ol

6-(1-ethylpyrazol-4-yl)hexan-3-ol (PubChem CID 64514398) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)hexan-3-ol.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)hexan-3-ol
PubChem CID64514398
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name6-(1-ethylpyrazol-4-yl)hexan-3-ol
SMILESCCC(O)CCCc1cnn(CC)c1
InChIInChI=1S/C11H20N2O/c1-3-11(14)7-5-6-10-8-12-13(4-2)9-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyMAYITCPSDYNIOC-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-5-methylhexyl)-1-ethylpyrazole
CID 64508208
6-(1-ethylpyrazol-4-yl)-2,2-dimethylhexan-3-amine
CID 64505120
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
1-(1-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
1,4-diethylpyrazole;ethane
CID 143641951
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825
6-(4-ethylphenyl)hexan-3-ol
CID 64514640
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)hexan-3-ol?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)hexan-3-ol (CID 64514398) is 6-(1-ethylpyrazol-4-yl)hexan-3-ol.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)hexan-3-ol?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)hexan-3-ol is CCC(O)CCCc1cnn(CC)c1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)hexan-3-ol?
The InChIKey is MAYITCPSDYNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-11(14)7-5-6-10-8-12-13(4-2)9-10/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)hexan-3-ol?
6-(1-ethylpyrazol-4-yl)hexan-3-ol has a molecular weight of 196.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)hexan-3-ol is sourced from PubChem (CID 64514398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).