4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide

C13H17N5O2 — CID 65358234

IUPAC4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2ccc(=O)n(CC)c2)n1
InChIInChI=1S/C13H17N5O2/c1-3-17-7-9(5-6-11(17)19)15-13(20)12-10(14)8-18(4-2)16-12/h5-8H,3-4,14H2,1-2H3,(H,15,20)
InChIKeyXGXQOSULRZTUOW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.92
Rot. Bonds4

About 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 65358234) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID65358234
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2ccc(=O)n(CC)c2)n1
InChIInChI=1S/C13H17N5O2/c1-3-17-7-9(5-6-11(17)19)15-13(20)12-10(14)8-18(4-2)16-12/h5-8H,3-4,14H2,1-2H3,(H,15,20)
InChIKeyXGXQOSULRZTUOW-UHFFFAOYSA-N
XLogP0.92
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-1-ethyl-N-(1,2-oxazol-4-yl)pyrazole-3-carboxamide
CID 65358029
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
2-amino-6-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 63658779
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorobenzamide
CID 62677966
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methoxybenzamide
CID 81393711
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 146323320
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-5-fluoro-4-methylbenzamide
CID 61103547

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide (CID 65358234) is 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2ccc(=O)n(CC)c2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is XGXQOSULRZTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-17-7-9(5-6-11(17)19)15-13(20)12-10(14)8-18(4-2)16-12/h5-8H,3-4,14H2,1-2H3,(H,15,20).
What are the key properties of 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65358234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).