4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C13H13F3N4O — CID 65358840

IUPAC4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-2-20-7-9(17)11(19-20)12(21)18-10-6-4-3-5-8(10)13(14,15)16/h3-7H,2,17H2,1H3,(H,18,21)
InChIKeyKUSMTWYPAAVTMQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.76
Rot. Bonds3

About 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 65358840) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID65358840
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-2-20-7-9(17)11(19-20)12(21)18-10-6-4-3-5-8(10)13(14,15)16/h3-7H,2,17H2,1H3,(H,18,21)
InChIKeyKUSMTWYPAAVTMQ-UHFFFAOYSA-N
XLogP2.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19579044
4-bromo-1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 39854418
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 102852362
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
CID 65358234
4-amino-N-(5-bromo-2-chlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65358030
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 65358840) is 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is KUSMTWYPAAVTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-20-7-9(17)11(19-20)12(21)18-10-6-4-3-5-8(10)13(14,15)16/h3-7H,2,17H2,1H3,(H,18,21).
What are the key properties of 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65358840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).