[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol

C14H17FN2O — CID 83500614

IUPAC[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol
SMILESCC(C)Cn1nc(CO)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-10(2)8-17-14(7-13(9-18)16-17)11-3-5-12(15)6-4-11/h3-7,10,18H,8-9H2,1-2H3
InChIKeyXJSMUQNNSPHCAR-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.84
Rot. Bonds4

About [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol

[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol (PubChem CID 83500614) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol
PubChem CID83500614
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol
SMILESCC(C)Cn1nc(CO)cc1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O/c1-10(2)8-17-14(7-13(9-18)16-17)11-3-5-12(15)6-4-11/h3-7,10,18H,8-9H2,1-2H3
InChIKeyXJSMUQNNSPHCAR-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylpropyl)-5-phenylpyrazol-3-yl]methanol
CID 83500409
[4-[4-[3-fluoro-1-(2-methylpropyl)pyrazol-5-yl]phenyl]-2-methylsulfonylphenyl]methanol
CID 168837418
5-(4-bromophenyl)-3-methyl-1-(2-methylpropyl)pyrazole
CID 122448784
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017
2-[4-ethyl-2-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenoxy]acetic acid
CID 110161490
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
4-(4-fluorophenyl)-6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]pyridazin-3-one
CID 86715312
4-[5-(4-fluorophenyl)-1-[(2S)-2-hydroxybutyl]pyrazol-3-yl]benzoic acid
CID 124953512
2-[2-[5-(4-chlorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]-4,5-difluorophenoxy]acetic acid
CID 110161502
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
CID 93186327
5-(4-fluorophenyl)-1-(2-hydroxyethyl)pyrazole-3-carbonitrile
CID 39247881

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol (CID 83500614) is [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol is CC(C)Cn1nc(CO)cc1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol?
The InChIKey is XJSMUQNNSPHCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(2)8-17-14(7-13(9-18)16-17)11-3-5-12(15)6-4-11/h3-7,10,18H,8-9H2,1-2H3.
What are the key properties of [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol?
[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol has a molecular weight of 248.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 83500614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).