(4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone

C17H13FN2O2 — CID 949315

IUPAC(4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone
SMILESCc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O2/c1-10-2-7-15(21)13(8-10)16-14(9-19-20-16)17(22)11-3-5-12(18)6-4-11/h2-9,21H,1H3,(H,19,20)
InChIKeyMLIZFOWQBZIKLT-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.46
Rot. Bonds3

About (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone

(4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone (PubChem CID 949315) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone
PubChem CID949315
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone
SMILESCc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H13FN2O2/c1-10-2-7-15(21)13(8-10)16-14(9-19-20-16)17(22)11-3-5-12(18)6-4-11/h2-9,21H,1H3,(H,19,20)
InChIKeyMLIZFOWQBZIKLT-UHFFFAOYSA-N
XLogP3.46
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl)(m-tolyl)methanone
CID 886383
[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](2-methylphenyl)methanone
CID 921747
(3-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl)(4-methoxyphenyl)methanone
CID 921980
(3-fluorophenyl)[5-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1418641
[3-(2-Hydroxy-4-methyl-phenyl)-1H-pyrazol-4-yl]-(4-methoxy-phenyl)-methanone
CID 585667
(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)(o-tolyl)methanone
CID 886169
[3-(2-hydroxy-5-methoxyphenyl)-1H-pyrazol-4-yl](2-methylphenyl)methanone
CID 659692
(4-fluorophenyl)(3-(2-hydroxyphenyl)-1H-pyrazol-4-yl)methanone
CID 659733
(3-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-4-yl)(4-methoxyphenyl)methanone
CID 805455
(5-Fluoro-2-hydroxyphenyl)(1H-pyrazol-4-yl)methanone
CID 2400746
N-[(4-acetylphenyl)methyl]-5-(2,4-dihydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 136016450
[3-(2-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl](3-methylphenyl)methanone
CID 851666

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone (CID 949315) is (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone is Cc1ccc(O)c(-c2[nH]ncc2C(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is MLIZFOWQBZIKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10-2-7-15(21)13(8-10)16-14(9-19-20-16)17(22)11-3-5-12(18)6-4-11/h2-9,21H,1H3,(H,19,20).
What are the key properties of (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone?
(4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 296.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[5-(2-hydroxy-5-methylphenyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 949315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).