5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

C17H13ClF3N3O — CID 137183368

IUPAC5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCn1nc(-c2ccc(Nc3ccc(Cl)cc3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O/c1-24-16(17(19,20)21)9-14(23-24)13-7-6-12(8-15(13)25)22-11-4-2-10(18)3-5-11/h2-9,22,25H,1H3
InChIKeyNNTARILIJIGCAD-UHFFFAOYSA-N
MW367.76 g/mol
LogP5.21
Rot. Bonds3

About 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol

5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (PubChem CID 137183368) has the molecular formula C17H13ClF3N3O and a molecular weight of 367.76 g/mol. Its IUPAC name is 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
PubChem CID137183368
Molecular FormulaC17H13ClF3N3O
Molecular Weight367.76 g/mol
Exact Mass367.07
IUPAC Name5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
SMILESCn1nc(-c2ccc(Nc3ccc(Cl)cc3)cc2O)cc1C(F)(F)F
InChIInChI=1S/C17H13ClF3N3O/c1-24-16(17(19,20)21)9-14(23-24)13-7-6-12(8-15(13)25)22-11-4-2-10(18)3-5-11/h2-9,22,25H,1H3
InChIKeyNNTARILIJIGCAD-UHFFFAOYSA-N
XLogP5.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.76
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-Chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol
CID 1256491
2-[1-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 4036145
2-[2-(3-Chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol
CID 135427918
2-(1-(4-Chlorophenyl)-1H-pyrazol-5-yl)-5-fluorophenol
CID 135461183
4-[2-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 135540475
4-(1-(2-chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)phenol
CID 136081961
2-chloro-N-[3-hydroxy-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]benzamide
CID 136355368
5-(4-chloroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183361
5-[(4-chlorophenyl)methylamino]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183369
5-[(4-Chlorophenyl)methylamino]-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183370
5-Amino-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 137183371
5-(3,4-difluoroanilino)-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183378

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The IUPAC name of 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol (CID 137183368) is 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol.
What is the SMILES notation for 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The canonical SMILES for 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is Cn1nc(-c2ccc(Nc3ccc(Cl)cc3)cc2O)cc1C(F)(F)F.
What is the InChIKey of 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
The InChIKey is NNTARILIJIGCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O/c1-24-16(17(19,20)21)9-14(23-24)13-7-6-12(8-15(13)25)22-11-4-2-10(18)3-5-11/h2-9,22,25H,1H3.
What are the key properties of 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol?
5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol has a molecular weight of 367.76 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol is sourced from PubChem (CID 137183368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).