1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol

C14H25ClN2O — CID 115836696

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C14H25ClN2O/c1-3-4-5-6-7-8-9-10-13(18)14-12(15)11-16-17(14)2/h11,13,18H,3-10H2,1-2H3
InChIKeyUYZNZDMZJAXVJH-UHFFFAOYSA-N
MW272.82 g/mol
LogP4.25
Rot. Bonds9

About 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol

1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol (PubChem CID 115836696) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
PubChem CID115836696
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1c(Cl)cnn1C
InChIInChI=1S/C14H25ClN2O/c1-3-4-5-6-7-8-9-10-13(18)14-12(15)11-16-17(14)2/h11,13,18H,3-10H2,1-2H3
InChIKeyUYZNZDMZJAXVJH-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)heptan-1-ol
CID 114635666
1-(4-chloro-1-methylpyrazol-5-yl)nonan-1-ol
CID 115836753
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635606
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1-(4-chloro-1-methylpyrazol-5-yl)-3-(2-methylphenyl)propan-1-ol
CID 105129706
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
1-(4-chloro-1-propylpyrazol-5-yl)decan-1-amine
CID 105042639

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol (CID 115836696) is 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol is CCCCCCCCCC(O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol?
The InChIKey is UYZNZDMZJAXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2O/c1-3-4-5-6-7-8-9-10-13(18)14-12(15)11-16-17(14)2/h11,13,18H,3-10H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol?
1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol has a molecular weight of 272.82 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)decan-1-ol is sourced from PubChem (CID 115836696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).