1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H11ClF3N3O2 — CID 90945322

IUPAC1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C17H11ClF3N3O2/c18-10-4-6-12(7-5-10)24-15(17(19,20)21)14(9-22-24)16(26)23-11-2-1-3-13(25)8-11/h1-9,25H,(H,23,26)
InChIKeyBRSONSYWNIQTJV-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.50
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90945322) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90945322
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C17H11ClF3N3O2/c18-10-4-6-12(7-5-10)24-15(17(19,20)21)14(9-22-24)16(26)23-11-2-1-3-13(25)8-11/h1-9,25H,(H,23,26)
InChIKeyBRSONSYWNIQTJV-UHFFFAOYSA-N
XLogP4.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 90945322) is 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cccc(O)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BRSONSYWNIQTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-10-4-6-12(7-5-10)24-15(17(19,20)21)14(9-22-24)16(26)23-11-2-1-3-13(25)8-11/h1-9,25H,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 381.74 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90945322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).