[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol

C11H11FN2O — CID 155026499

IUPAC[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]ncc1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c12-10-3-1-8(2-4-10)5-9-6-13-14-11(9)7-15/h1-4,6,15H,5,7H2,(H,13,14)
InChIKeyIPMUSTMMFXXTFJ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.63
Rot. Bonds3

About [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol

[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol (PubChem CID 155026499) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol
PubChem CID155026499
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol
SMILESOCc1[nH]ncc1Cc1ccc(F)cc1
InChIInChI=1S/C11H11FN2O/c12-10-3-1-8(2-4-10)5-9-6-13-14-11(9)7-15/h1-4,6,15H,5,7H2,(H,13,14)
InChIKeyIPMUSTMMFXXTFJ-UHFFFAOYSA-N
XLogP1.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol (CID 155026499) is [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol is OCc1[nH]ncc1Cc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol?
The InChIKey is IPMUSTMMFXXTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-10-3-1-8(2-4-10)5-9-6-13-14-11(9)7-15/h1-4,6,15H,5,7H2,(H,13,14).
What are the key properties of [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol?
[4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 155026499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).