1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C12H12F3N5O — CID 136539852

IUPAC1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nccc(C)n2)c(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5O/c1-3-20-6-8(9(19-20)12(13,14)15)10(21)18-11-16-5-4-7(2)17-11/h4-6H,3H2,1-2H3,(H,16,17,18,21)
InChIKeyBJJOHWCICBCOEP-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.27
Rot. Bonds3

About 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 136539852) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID136539852
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nccc(C)n2)c(C(F)(F)F)n1
InChIInChI=1S/C12H12F3N5O/c1-3-20-6-8(9(19-20)12(13,14)15)10(21)18-11-16-5-4-7(2)17-11/h4-6H,3H2,1-2H3,(H,16,17,18,21)
InChIKeyBJJOHWCICBCOEP-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 146124332
methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 167963343
2-methyl-N-(4-methylpyrimidin-2-yl)benzamide
CID 132962288
4-bromo-1-ethyl-N-(4-methylpyrimidin-2-yl)pyrazole-5-carboxamide
CID 35522845
1-ethyl-4-[(E)-hept-3-en-4-yl]-3-(trifluoromethyl)pyrazole
CID 167075132
4-chloro-2-hydroxy-N-(4-methylpyrimidin-2-yl)benzamide
CID 6481030
1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7597790
2-[[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methylamino]pyrimidine-4-carbonitrile
CID 163347826
1,4-diethyl-3-(trifluoromethyl)pyrazole
CID 155736271
2-ethoxy-N-(4-methylpyrimidin-2-yl)acetamide
CID 7336905
N-[[4-(4-ethoxyphenyl)oxan-4-yl]methyl]-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 139011300
N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86345287

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 136539852) is 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2nccc(C)n2)c(C(F)(F)F)n1.
What is the InChIKey of 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BJJOHWCICBCOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-3-20-6-8(9(19-20)12(13,14)15)10(21)18-11-16-5-4-7(2)17-11/h4-6H,3H2,1-2H3,(H,16,17,18,21).
What are the key properties of 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 136539852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).