5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

C12H9ClF3N3O — CID 18136016

IUPAC5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClF3N3O/c13-8-3-1-7(2-4-8)10-9(5-18-19-10)11(20)17-6-12(14,15)16/h1-5H,6H2,(H,17,20)(H,18,19)
InChIKeyFAICWDFRCRADML-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.02
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (PubChem CID 18136016) has the molecular formula C12H9ClF3N3O and a molecular weight of 303.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
PubChem CID18136016
Molecular FormulaC12H9ClF3N3O
Molecular Weight303.67 g/mol
Exact Mass303.04
IUPAC Name5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C12H9ClF3N3O/c13-8-3-1-7(2-4-8)10-9(5-18-19-10)11(20)17-6-12(14,15)16/h1-5H,6H2,(H,17,20)(H,18,19)
InChIKeyFAICWDFRCRADML-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide (CID 18136016) is 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is O=C(NCC(F)(F)F)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FAICWDFRCRADML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O/c13-8-3-1-7(2-4-8)10-9(5-18-19-10)11(20)17-6-12(14,15)16/h1-5H,6H2,(H,17,20)(H,18,19).
What are the key properties of 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 303.67 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 18136016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).