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

C17H11ClF4N2O2 — CID 3723843

IUPAC(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccc(F)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H11ClF4N2O2/c18-13-4-2-1-3-12(13)15(25)24-16(26,17(20,21)22)9-14(23-24)10-5-7-11(19)8-6-10/h1-8,26H,9H2
InChIKeyGCMIJFUZLPKWOQ-UHFFFAOYSA-N
MW386.73 g/mol
LogP3.98
Rot. Bonds2

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

(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3723843) has the molecular formula C17H11ClF4N2O2 and a molecular weight of 386.73 g/mol. Its IUPAC name is (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3723843
Molecular FormulaC17H11ClF4N2O2
Molecular Weight386.73 g/mol
Exact Mass386.04
IUPAC Name(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccc(F)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H11ClF4N2O2/c18-13-4-2-1-3-12(13)15(25)24-16(26,17(20,21)22)9-14(23-24)10-5-7-11(19)8-6-10/h1-8,26H,9H2
InChIKeyGCMIJFUZLPKWOQ-UHFFFAOYSA-N
XLogP3.98
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.73
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3723843) is (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1ccccc1Cl)N1N=C(c2ccc(F)cc2)CC1(O)C(F)(F)F.
What is the InChIKey of (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is GCMIJFUZLPKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF4N2O2/c18-13-4-2-1-3-12(13)15(25)24-16(26,17(20,21)22)9-14(23-24)10-5-7-11(19)8-6-10/h1-8,26H,9H2.
What are the key properties of (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 386.73 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[3-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3723843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).