2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol

C14H25FN2O — CID 102407019

IUPAC2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(C)(O)c1c(F)cnn1C
InChIInChI=1S/C14H25FN2O/c1-4-5-6-7-8-9-10-14(2,18)13-12(15)11-16-17(13)3/h11,18H,4-10H2,1-3H3
InChIKeyYMVSXNQJRMWCTM-UHFFFAOYSA-N
MW256.36 g/mol
LogP3.52
Rot. Bonds8

About 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol

2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol (PubChem CID 102407019) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol
PubChem CID102407019
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol
SMILESCCCCCCCCC(C)(O)c1c(F)cnn1C
InChIInChI=1S/C14H25FN2O/c1-4-5-6-7-8-9-10-14(2,18)13-12(15)11-16-17(13)3/h11,18H,4-10H2,1-3H3
InChIKeyYMVSXNQJRMWCTM-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol?
The IUPAC name of 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol (CID 102407019) is 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol.
What is the SMILES notation for 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol?
The canonical SMILES for 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol is CCCCCCCCC(C)(O)c1c(F)cnn1C.
What is the InChIKey of 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol?
The InChIKey is YMVSXNQJRMWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-4-5-6-7-8-9-10-14(2,18)13-12(15)11-16-17(13)3/h11,18H,4-10H2,1-3H3.
What are the key properties of 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol?
2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol has a molecular weight of 256.36 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylpyrazol-5-yl)decan-2-ol is sourced from PubChem (CID 102407019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).