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

C12H13FN2O — CID 164820013

IUPAC[3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(CCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C12H13FN2O/c13-10-4-1-9(2-5-10)3-6-11-7-12(8-16)15-14-11/h1-2,4-5,7,16H,3,6,8H2,(H,14,15)
InChIKeyNAXBLQFWOFAJRP-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.83
Rot. Bonds4

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

[3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol (PubChem CID 164820013) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol
PubChem CID164820013
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(CCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C12H13FN2O/c13-10-4-1-9(2-5-10)3-6-11-7-12(8-16)15-14-11/h1-2,4-5,7,16H,3,6,8H2,(H,14,15)
InChIKeyNAXBLQFWOFAJRP-UHFFFAOYSA-N
XLogP1.83
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indazol-3-ylmethanol
CID 1505796
3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
CID 2805406
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
1-(1H-indazol-3-yl)ethan-1-ol
CID 119095207
1-(3,4-difluorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethanol
CID 53513996
4-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]phenol
CID 118728006
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155544554
phenyl(1H-pyrazol-5-yl)methanol
CID 3849411
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
[6-(aminomethyl)-1H-indazol-3-yl]methanol
CID 170918818
1-(3-Phenyl-1h-Pyrazol-5-Yl)cyclopentanol
CID 91754982
1-[2-(1H-pyrazol-5-yl)phenyl]pentan-1-ol
CID 177643384

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol (CID 164820013) is [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol is OCc1cc(CCc2ccc(F)cc2)n[nH]1.
What is the InChIKey of [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol?
The InChIKey is NAXBLQFWOFAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-10-4-1-9(2-5-10)3-6-11-7-12(8-16)15-14-11/h1-2,4-5,7,16H,3,6,8H2,(H,14,15).
What are the key properties of [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol?
[3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol has a molecular weight of 220.25 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)ethyl]-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 164820013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).