3-(2-fluoroethyl)-1-methylpyrazol-4-amine

C6H10FN3 — CID 122516484

IUPAC3-(2-fluoroethyl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(CCF)n1
InChIInChI=1S/C6H10FN3/c1-10-4-5(8)6(9-10)2-3-7/h4H,2-3,8H2,1H3
InChIKeyBMUUMXQROPQQMX-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.51
Rot. Bonds2

About 3-(2-fluoroethyl)-1-methylpyrazol-4-amine

3-(2-fluoroethyl)-1-methylpyrazol-4-amine (PubChem CID 122516484) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-1-methylpyrazol-4-amine
PubChem CID122516484
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name3-(2-fluoroethyl)-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(CCF)n1
InChIInChI=1S/C6H10FN3/c1-10-4-5(8)6(9-10)2-3-7/h4H,2-3,8H2,1H3
InChIKeyBMUUMXQROPQQMX-UHFFFAOYSA-N
XLogP0.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(2-fluoroethyl)-1-methylpyrazol-4-amine (CID 122516484) is 3-(2-fluoroethyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(2-fluoroethyl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(2-fluoroethyl)-1-methylpyrazol-4-amine is Cn1cc(N)c(CCF)n1.
What is the InChIKey of 3-(2-fluoroethyl)-1-methylpyrazol-4-amine?
The InChIKey is BMUUMXQROPQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-10-4-5(8)6(9-10)2-3-7/h4H,2-3,8H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-1-methylpyrazol-4-amine?
3-(2-fluoroethyl)-1-methylpyrazol-4-amine has a molecular weight of 143.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 122516484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).