2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol

C14H16F2N2O — CID 59281311

IUPAC2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
SMILESCc1cc(-c2ccc(F)cc2)n(CC(C)(F)CO)n1
InChIInChI=1S/C14H16F2N2O/c1-10-7-13(11-3-5-12(15)6-4-11)18(17-10)8-14(2,16)9-19/h3-7,19H,8-9H2,1-2H3
InChIKeyNYOZGLWTMHZFDF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.72
Rot. Bonds4

About 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol

2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol (PubChem CID 59281311) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
PubChem CID59281311
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol
SMILESCc1cc(-c2ccc(F)cc2)n(CC(C)(F)CO)n1
InChIInChI=1S/C14H16F2N2O/c1-10-7-13(11-3-5-12(15)6-4-11)18(17-10)8-14(2,16)9-19/h3-7,19H,8-9H2,1-2H3
InChIKeyNYOZGLWTMHZFDF-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol (CID 59281311) is 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol is Cc1cc(-c2ccc(F)cc2)n(CC(C)(F)CO)n1.
What is the InChIKey of 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
The InChIKey is NYOZGLWTMHZFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-10-7-13(11-3-5-12(15)6-4-11)18(17-10)8-14(2,16)9-19/h3-7,19H,8-9H2,1-2H3.
What are the key properties of 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol?
2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 59281311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).