1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

C18H13ClF3N3O2 — CID 39726235

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H13ClF3N3O2/c19-14-6-2-1-5-12(14)10-25-11-13(9-23-25)17(26)24-15-7-3-4-8-16(15)27-18(20,21)22/h1-9,11H,10H2,(H,24,26)
InChIKeyABRHSPFJQDKVPF-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.74
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 39726235) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID39726235
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H13ClF3N3O2/c19-14-6-2-1-5-12(14)10-25-11-13(9-23-25)17(26)24-15-7-3-4-8-16(15)27-18(20,21)22/h1-9,11H,10H2,(H,24,26)
InChIKeyABRHSPFJQDKVPF-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 39726235) is 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is ABRHSPFJQDKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-14-6-2-1-5-12(14)10-25-11-13(9-23-25)17(26)24-15-7-3-4-8-16(15)27-18(20,21)22/h1-9,11H,10H2,(H,24,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39726235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).