4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide

C11H12FN5O — CID 116812579

IUPAC4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cccc(F)n2)n1
InChIInChI=1S/C11H12FN5O/c1-2-17-6-7(13)10(16-17)11(18)15-9-5-3-4-8(12)14-9/h3-6H,2,13H2,1H3,(H,14,15,18)
InChIKeySFPQUAVVCOFTPI-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 116812579) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID116812579
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2cccc(F)n2)n1
InChIInChI=1S/C11H12FN5O/c1-2-17-6-7(13)10(16-17)11(18)15-9-5-3-4-8(12)14-9/h3-6H,2,13H2,1H3,(H,14,15,18)
InChIKeySFPQUAVVCOFTPI-UHFFFAOYSA-N
XLogP1.27
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-ethylpyrazole-3-carboxamide
CID 114931708
4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82816028
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357729
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 65359038
4-amino-1-ethyl-N-[2-(3-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 65357986
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
CID 19620451

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide (CID 116812579) is 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2cccc(F)n2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is SFPQUAVVCOFTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-2-17-6-7(13)10(16-17)11(18)15-9-5-3-4-8(12)14-9/h3-6H,2,13H2,1H3,(H,14,15,18).
What are the key properties of 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 116812579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).