4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine

C8H12FN3 — CID 165492544

IUPAC4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine
SMILESCC1CC1c1nn(C)c(N)c1F
InChIInChI=1S/C8H12FN3/c1-4-3-5(4)7-6(9)8(10)12(2)11-7/h4-5H,3,10H2,1-2H3
InChIKeyWJWWWHQCLYXVDF-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.26
Rot. Bonds1

About 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine

4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine (PubChem CID 165492544) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine
PubChem CID165492544
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine
SMILESCC1CC1c1nn(C)c(N)c1F
InChIInChI=1S/C8H12FN3/c1-4-3-5(4)7-6(9)8(10)12(2)11-7/h4-5H,3,10H2,1-2H3
InChIKeyWJWWWHQCLYXVDF-UHFFFAOYSA-N
XLogP1.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine?
The IUPAC name of 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine (CID 165492544) is 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine.
What is the SMILES notation for 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine?
The canonical SMILES for 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine is CC1CC1c1nn(C)c(N)c1F.
What is the InChIKey of 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine?
The InChIKey is WJWWWHQCLYXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-4-3-5(4)7-6(9)8(10)12(2)11-7/h4-5H,3,10H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine?
4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine has a molecular weight of 169.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-(2-methylcyclopropyl)pyrazol-5-amine is sourced from PubChem (CID 165492544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).