1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H15ClF3N3O2 — CID 90841031

IUPAC1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C19H15ClF3N3O2/c20-13-3-5-14(6-4-13)26-17(19(21,22)23)16(11-25-26)18(28)24-10-9-12-1-7-15(27)8-2-12/h1-8,11,27H,9-10H2,(H,24,28)
InChIKeyXJZHVAIJSGOGTB-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90841031) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90841031
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C19H15ClF3N3O2/c20-13-3-5-14(6-4-13)26-17(19(21,22)23)16(11-25-26)18(28)24-10-9-12-1-7-15(27)8-2-12/h1-8,11,27H,9-10H2,(H,24,28)
InChIKeyXJZHVAIJSGOGTB-UHFFFAOYSA-N
XLogP4.22
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.22
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-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 90841031) is 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XJZHVAIJSGOGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c20-13-3-5-14(6-4-13)26-17(19(21,22)23)16(11-25-26)18(28)24-10-9-12-1-7-15(27)8-2-12/h1-8,11,27H,9-10H2,(H,24,28).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90841031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).