N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C18H13ClF3N3O — CID 20861300

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H13ClF3N3O/c1-11-9-16(25(24-11)13-5-3-2-4-6-13)17(26)23-15-10-12(18(20,21)22)7-8-14(15)19/h2-10H,1H3,(H,23,26)
InChIKeyMYDXBAHEYQRNNH-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.11
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 20861300) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID20861300
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H13ClF3N3O/c1-11-9-16(25(24-11)13-5-3-2-4-6-13)17(26)23-15-10-12(18(20,21)22)7-8-14(15)19/h2-10H,1H3,(H,23,26)
InChIKeyMYDXBAHEYQRNNH-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 20861300) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is MYDXBAHEYQRNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c1-11-9-16(25(24-11)13-5-3-2-4-6-13)17(26)23-15-10-12(18(20,21)22)7-8-14(15)19/h2-10H,1H3,(H,23,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide has a molecular weight of 379.77 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 20861300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).