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

C11H11FN2O — CID 54850779

IUPAC[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C11H11FN2O/c1-7-10(6-15)11(14-13-7)8-2-4-9(12)5-3-8/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyYTHOWCSCMHPDPL-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.02
Rot. Bonds2

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

[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol (PubChem CID 54850779) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
PubChem CID54850779
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C11H11FN2O/c1-7-10(6-15)11(14-13-7)8-2-4-9(12)5-3-8/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyYTHOWCSCMHPDPL-UHFFFAOYSA-N
XLogP2.02
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
CID 2805406
(4-methyl-3-phenyl-1H-pyrazol-5-yl)methanol
CID 54847426
1-(3,4-difluorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethanol
CID 53513996
1-(3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155544554
5-Phenyl-1H-pyrazole-3-methanol
CID 11389680
1-(3-Phenyl-1h-Pyrazol-5-Yl)cyclopentanol
CID 91754982
4-Phenyl-1H-pyrazole-3,5-dimethanol
CID 3616748
Phenyl hydroxymethylpyrazole
CID 22477654
(4S)-3-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 95165425
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propan-1-ol
CID 15626653
3,6-Dihydro-4-(3-ethyl-5-pyrazolyl)-alpha-(p-fluorophenyl)-1(2H)-pyridinebutanol
CID 21505647
(6-fluoro-1H-indazol-3-yl)methanol
CID 22477657

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol (CID 54850779) is [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol is Cc1[nH]nc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
The InChIKey is YTHOWCSCMHPDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-10(6-15)11(14-13-7)8-2-4-9(12)5-3-8/h2-5,15H,6H2,1H3,(H,13,14).
What are the key properties of [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol?
[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol has a molecular weight of 206.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 54850779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).