[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

C18H14F4N2O2 — CID 6615346

IUPAC[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1N=C(c2ccc(F)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C18H14F4N2O2/c1-11-4-2-3-5-14(11)16(25)24-17(26,18(20,21)22)10-15(23-24)12-6-8-13(19)9-7-12/h2-9,26H,10H2,1H3
InChIKeyKUSTZHIWHZKRGQ-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.64
Rot. Bonds2

About [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone

[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone (PubChem CID 6615346) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
PubChem CID6615346
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1N=C(c2ccc(F)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C18H14F4N2O2/c1-11-4-2-3-5-14(11)16(25)24-17(26,18(20,21)22)10-15(23-24)12-6-8-13(19)9-7-12/h2-9,26H,10H2,1H3
InChIKeyKUSTZHIWHZKRGQ-UHFFFAOYSA-N
XLogP3.64
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone (CID 6615346) is [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1N=C(c2ccc(F)cc2)CC1(O)C(F)(F)F.
What is the InChIKey of [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
The InChIKey is KUSTZHIWHZKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-11-4-2-3-5-14(11)16(25)24-17(26,18(20,21)22)10-15(23-24)12-6-8-13(19)9-7-12/h2-9,26H,10H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone?
[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone has a molecular weight of 366.31 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 6615346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).