1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

C18H13ClF3N3O2 — CID 164615323

IUPAC1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13ClF3N3O2/c1-23-17(26)15-10-16(25(24-15)13-6-4-12(19)5-7-13)11-2-8-14(9-3-11)27-18(20,21)22/h2-10H,1H3,(H,23,26)
InChIKeyOGILNUGRWUNZJA-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide

1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 164615323) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID164615323
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13ClF3N3O2/c1-23-17(26)15-10-16(25(24-15)13-6-4-12(19)5-7-13)11-2-8-14(9-3-11)27-18(20,21)22/h2-10H,1H3,(H,23,26)
InChIKeyOGILNUGRWUNZJA-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 164615323) is 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is OGILNUGRWUNZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c1-23-17(26)15-10-16(25(24-15)13-6-4-12(19)5-7-13)11-2-8-14(9-3-11)27-18(20,21)22/h2-10H,1H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide?
1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164615323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).