3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide

C14H15FN4O — CID 106936269

IUPAC3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide
SMILESC=Cn1cc(CNc2cc(C(N)=O)cc(F)c2C)cn1
InChIInChI=1S/C14H15FN4O/c1-3-19-8-10(7-18-19)6-17-13-5-11(14(16)20)4-12(15)9(13)2/h3-5,7-8,17H,1,6H2,2H3,(H2,16,20)
InChIKeyWUDUVDQYAAVPRV-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.14
Rot. Bonds5

About 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide

3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 106936269) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID106936269
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide
SMILESC=Cn1cc(CNc2cc(C(N)=O)cc(F)c2C)cn1
InChIInChI=1S/C14H15FN4O/c1-3-19-8-10(7-18-19)6-17-13-5-11(14(16)20)4-12(15)9(13)2/h3-5,7-8,17H,1,6H2,2H3,(H2,16,20)
InChIKeyWUDUVDQYAAVPRV-UHFFFAOYSA-N
XLogP2.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide (CID 106936269) is 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide is C=Cn1cc(CNc2cc(C(N)=O)cc(F)c2C)cn1.
What is the InChIKey of 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is WUDUVDQYAAVPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-3-19-8-10(7-18-19)6-17-13-5-11(14(16)20)4-12(15)9(13)2/h3-5,7-8,17H,1,6H2,2H3,(H2,16,20).
What are the key properties of 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide?
3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethenylpyrazol-4-yl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 106936269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).