[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol

C12H13FN2O — CID 123414570

IUPAC[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol
SMILESCc1c(-c2ccc(CO)c(F)c2)cnn1C
InChIInChI=1S/C12H13FN2O/c1-8-11(6-14-15(8)2)9-3-4-10(7-16)12(13)5-9/h3-6,16H,7H2,1-2H3
InChIKeyZYPIULDFHVCZGR-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.03
Rot. Bonds2

About [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol

[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol (PubChem CID 123414570) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol
PubChem CID123414570
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol
SMILESCc1c(-c2ccc(CO)c(F)c2)cnn1C
InChIInChI=1S/C12H13FN2O/c1-8-11(6-14-15(8)2)9-3-4-10(7-16)12(13)5-9/h3-6,16H,7H2,1-2H3
InChIKeyZYPIULDFHVCZGR-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-p-tolyl-methanol
CID 44394955
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methanol
CID 2876247
4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804882
3-(1H-Pyrazol-1-yl)benzyl alcohol
CID 7164580
(1-Methyl-1H-indazol-6-yl)methanol
CID 44119265
2-Methyl-2H-indazole-6-methanol
CID 44119269
(1-Benzyl-5-methyl-1h-pyrazol-4-yl)methanol
CID 66437900

Frequently Asked Questions

What is the IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol?
The IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol (CID 123414570) is [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol.
What is the SMILES notation for [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol?
The canonical SMILES for [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol is Cc1c(-c2ccc(CO)c(F)c2)cnn1C.
What is the InChIKey of [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol?
The InChIKey is ZYPIULDFHVCZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-11(6-14-15(8)2)9-3-4-10(7-16)12(13)5-9/h3-6,16H,7H2,1-2H3.
What are the key properties of [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol?
[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol has a molecular weight of 220.25 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methanol is sourced from PubChem (CID 123414570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).