1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C14H14F3N3O — CID 4084403

IUPAC1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H14F3N3O/c1-2-20-9-11(8-19-20)13(21)18-7-10-4-3-5-12(6-10)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyMLMHVJGJYWPBTC-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.85
Rot. Bonds4

About 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 4084403) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID4084403
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H14F3N3O/c1-2-20-9-11(8-19-20)13(21)18-7-10-4-3-5-12(6-10)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H,18,21)
InChIKeyMLMHVJGJYWPBTC-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-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 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 4084403) is 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is MLMHVJGJYWPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-20-9-11(8-19-20)13(21)18-7-10-4-3-5-12(6-10)14(15,16)17/h3-6,8-9H,2,7H2,1H3,(H,18,21).
What are the key properties of 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 4084403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).