2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine

C6H9F2N3 — CID 25247599

IUPAC2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(CC(F)F)n1
InChIInChI=1S/C6H9F2N3/c1-4-2-6(9)11(10-4)3-5(7)8/h2,5H,3,9H2,1H3
InChIKeyKRNREOHSDUBUQR-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.04
Rot. Bonds2

About 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine

2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine (PubChem CID 25247599) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine
PubChem CID25247599
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(CC(F)F)n1
InChIInChI=1S/C6H9F2N3/c1-4-2-6(9)11(10-4)3-5(7)8/h2,5H,3,9H2,1H3
InChIKeyKRNREOHSDUBUQR-UHFFFAOYSA-N
XLogP1.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine (CID 25247599) is 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine is Cc1cc(N)n(CC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
The InChIKey is KRNREOHSDUBUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-4-2-6(9)11(10-4)3-5(7)8/h2,5H,3,9H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine has a molecular weight of 161.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 25247599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).