1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C13H12F3N3O — CID 19579044

IUPAC1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3O/c1-2-19-8-9(7-17-19)12(20)18-11-6-4-3-5-10(11)13(14,15)16/h3-8H,2H2,1H3,(H,18,20)
InChIKeyPAGWAQPRSQLNEU-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.17
Rot. Bonds3

About 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 19579044) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID19579044
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C13H12F3N3O/c1-2-19-8-9(7-17-19)12(20)18-11-6-4-3-5-10(11)13(14,15)16/h3-8H,2H2,1H3,(H,18,20)
InChIKeyPAGWAQPRSQLNEU-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-ethylpyrazole-4-carboxamide
CID 35295297
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
N-(2-tert-butylphenyl)-1-methylpyrazole-4-carboxamide
CID 844627
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
N-(5-bromoquinolin-8-yl)-1-ethylpyrazole-4-carboxamide
CID 19280962
6-(methylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 62186448

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 19579044) is 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is PAGWAQPRSQLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-2-19-8-9(7-17-19)12(20)18-11-6-4-3-5-10(11)13(14,15)16/h3-8H,2H2,1H3,(H,18,20).
What are the key properties of 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19579044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).