N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide

C15H15F3N4O — CID 16756515

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide
SMILESCCC1=NNC(C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H15F3N4O/c1-3-10-7-14(2,22-21-10)13(23)20-11-5-4-9(8-19)12(6-11)15(16,17)18/h4-6,22H,3,7H2,1-2H3,(H,20,23)
InChIKeyKTTHTYSZQPBMOF-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.03
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide (PubChem CID 16756515) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide
PubChem CID16756515
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide
SMILESCCC1=NNC(C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H15F3N4O/c1-3-10-7-14(2,22-21-10)13(23)20-11-5-4-9(8-19)12(6-11)15(16,17)18/h4-6,22H,3,7H2,1-2H3,(H,20,23)
InChIKeyKTTHTYSZQPBMOF-UHFFFAOYSA-N
XLogP3.03
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-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-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide (CID 16756515) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide is CCC1=NNC(C)(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide?
The InChIKey is KTTHTYSZQPBMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-3-10-7-14(2,22-21-10)13(23)20-11-5-4-9(8-19)12(6-11)15(16,17)18/h4-6,22H,3,7H2,1-2H3,(H,20,23).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-ethyl-5-methyl-1,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 16756515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).