1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine

C8H10FN3 — CID 156863523

IUPAC1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine
SMILESC=C(N)c1cnn(C)c1C(=C)F
InChIInChI=1S/C8H10FN3/c1-5(9)8-7(6(2)10)4-11-12(8)3/h4H,1-2,10H2,3H3
InChIKeyHEBDBGQRHKEWTL-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.29
Rot. Bonds2

About 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine

1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine (PubChem CID 156863523) has the molecular formula C8H10FN3 and a molecular weight of 167.19 g/mol. Its IUPAC name is 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine.

Molecular Properties

Compound Name1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine
PubChem CID156863523
Molecular FormulaC8H10FN3
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine
SMILESC=C(N)c1cnn(C)c1C(=C)F
InChIInChI=1S/C8H10FN3/c1-5(9)8-7(6(2)10)4-11-12(8)3/h4H,1-2,10H2,3H3
InChIKeyHEBDBGQRHKEWTL-UHFFFAOYSA-N
XLogP1.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 818472
(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
[1-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 115015283
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
(1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 1257622
(1-Ethyl-3-methyl-1H-pyrazol-4-ylmethyl)-methyl-amine
CID 6487607
1,3,4-Trimethylpyrazole
CID 2733984
1,4,5-Trimethylpyrazole
CID 12115801

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine?
The IUPAC name of 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine (CID 156863523) is 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine.
What is the SMILES notation for 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine?
The canonical SMILES for 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine is C=C(N)c1cnn(C)c1C(=C)F.
What is the InChIKey of 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine?
The InChIKey is HEBDBGQRHKEWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3/c1-5(9)8-7(6(2)10)4-11-12(8)3/h4H,1-2,10H2,3H3.
What are the key properties of 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine?
1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine has a molecular weight of 167.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-fluoroethenyl)-1-methylpyrazol-4-yl]ethenamine is sourced from PubChem (CID 156863523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).