2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol

C13H15FN2O — CID 117340384

IUPAC2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-13(2,9-17)10-4-5-12(11(14)8-10)16-7-3-6-15-16/h3-8,17H,9H2,1-2H3
InChIKeyLEGDAJAYXDWBQJ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.28
Rot. Bonds3

About 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol

2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol (PubChem CID 117340384) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
PubChem CID117340384
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C13H15FN2O/c1-13(2,9-17)10-4-5-12(11(14)8-10)16-7-3-6-15-16/h3-8,17H,9H2,1-2H3
InChIKeyLEGDAJAYXDWBQJ-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
CID 43506232
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]hydroxylamine
CID 117295562
3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
CID 111543227
(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
CID 94830259
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
N-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 43275370
1-(3-fluoro-4-pyrazol-1-ylphenyl)triazole
CID 58758348
1-(2-fluoro-4-nitrophenyl)pyrazole
CID 10703514
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
CID 126668779
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
1-(5-tert-butyl-2-propan-2-ylphenyl)pyrazole
CID 176746604
4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperidine
CID 117402200

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol (CID 117340384) is 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol?
The InChIKey is LEGDAJAYXDWBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-13(2,9-17)10-4-5-12(11(14)8-10)16-7-3-6-15-16/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol?
2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117340384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).