3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine

C9H14FN3 — CID 165499266

IUPAC3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1F)C1CC1
InChIInChI=1S/C9H14FN3/c1-5(6-3-4-6)8-7(10)9(11)13(2)12-8/h5-6H,3-4,11H2,1-2H3
InChIKeyQSIGVSNXFQLPNN-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.65
Rot. Bonds2

About 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine

3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine (PubChem CID 165499266) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine
PubChem CID165499266
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine
SMILESCC(c1nn(C)c(N)c1F)C1CC1
InChIInChI=1S/C9H14FN3/c1-5(6-3-4-6)8-7(10)9(11)13(2)12-8/h5-6H,3-4,11H2,1-2H3
InChIKeyQSIGVSNXFQLPNN-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine?
The IUPAC name of 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine (CID 165499266) is 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine is CC(c1nn(C)c(N)c1F)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine?
The InChIKey is QSIGVSNXFQLPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-5(6-3-4-6)8-7(10)9(11)13(2)12-8/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine?
3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine has a molecular weight of 183.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethyl)-4-fluoro-1-methylpyrazol-5-amine is sourced from PubChem (CID 165499266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).