[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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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).