1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine

C6H8FN3 — CID 177039408

IUPAC1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine
SMILESC=C(N)c1cn(C)nc1F
InChIInChI=1S/C6H8FN3/c1-4(8)5-3-10(2)9-6(5)7/h3H,1,8H2,2H3
InChIKeyVXQBMSWUAJSFHX-UHFFFAOYSA-N
MW141.15 g/mol
LogP0.49
Rot. Bonds1

About 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine

1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine (PubChem CID 177039408) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine.

Molecular Properties

Compound Name1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine
PubChem CID177039408
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine
SMILESC=C(N)c1cn(C)nc1F
InChIInChI=1S/C6H8FN3/c1-4(8)5-3-10(2)9-6(5)7/h3H,1,8H2,2H3
InChIKeyVXQBMSWUAJSFHX-UHFFFAOYSA-N
XLogP0.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
3-Fluoro-1,4-dimethylpyrazole
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4-(3-Fluorobuta-1,3-dien-2-yl)-1-methylpyrazole
CID 123160841
4-Ethyl-3-fluoro-1-methylpyrazole
CID 139383931
1-(3-Fluoroprop-1-en-2-yl)-4-methylpyrazole
CID 155201242
1-[5-(1-Fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine
CID 156863523
3-Fluoro-4-methyl-1-propan-2-ylpyrazole
CID 168900810
1-(Difluoromethyl)-4-prop-1-en-2-ylpyrazole
CID 169249860
3-Fluoro-1-methyl-4-prop-1-en-2-ylpyrazole
CID 169869426
(Z)-1-[1-(2,2-difluoroethyl)pyrazol-4-yl]but-1-en-1-amine
CID 177316698
{[1-(2-fluoroethyl)-1H-pyrazol-4-yl]methyl}(methyl)amine
CID 80694658
2-Fluoro-3-(4-methylpyrazol-1-yl)propan-1-amine
CID 84650571

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine?
The IUPAC name of 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine (CID 177039408) is 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine.
What is the SMILES notation for 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine?
The canonical SMILES for 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine is C=C(N)c1cn(C)nc1F.
What is the InChIKey of 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine?
The InChIKey is VXQBMSWUAJSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3/c1-4(8)5-3-10(2)9-6(5)7/h3H,1,8H2,2H3.
What are the key properties of 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine?
1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine has a molecular weight of 141.15 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylpyrazol-4-yl)ethenamine is sourced from PubChem (CID 177039408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).