N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

C13H13F2N3O — CID 1225270

IUPACN-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C13H13F2N3O/c1-3-18-8(2)10(7-16-18)13(19)17-12-6-9(14)4-5-11(12)15/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyAKYZDTUMBOQSQQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.74
Rot. Bonds3

About N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 1225270) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID1225270
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2cc(F)ccc2F)c1C
InChIInChI=1S/C13H13F2N3O/c1-3-18-8(2)10(7-16-18)13(19)17-12-6-9(14)4-5-11(12)15/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyAKYZDTUMBOQSQQ-UHFFFAOYSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280841
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
N-(2,5-difluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537169
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
1-ethyl-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19280765
N-(2,5-difluorophenyl)-2,3,4-trifluorobenzamide
CID 28560277
N-(2,5-difluorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41484970
1-(2,5-difluorophenyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
CID 20964016
N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (CID 1225270) is N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2cc(F)ccc2F)c1C.
What is the InChIKey of N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is AKYZDTUMBOQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-3-18-8(2)10(7-16-18)13(19)17-12-6-9(14)4-5-11(12)15/h4-7H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 265.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 1225270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).