1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine

C6H9F2N3 — CID 19622844

IUPAC1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine
SMILESCc1nn(CC(F)F)cc1N
InChIInChI=1S/C6H9F2N3/c1-4-5(9)2-11(10-4)3-6(7)8/h2,6H,3,9H2,1H3
InChIKeyOKMRKLGUIKBEHI-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.04
Rot. Bonds2

About 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine

1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine (PubChem CID 19622844) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine
PubChem CID19622844
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine
SMILESCc1nn(CC(F)F)cc1N
InChIInChI=1S/C6H9F2N3/c1-4-5(9)2-11(10-4)3-6(7)8/h2,6H,3,9H2,1H3
InChIKeyOKMRKLGUIKBEHI-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 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine (CID 19622844) is 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine is Cc1nn(CC(F)F)cc1N.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine?
The InChIKey is OKMRKLGUIKBEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-4-5(9)2-11(10-4)3-6(7)8/h2,6H,3,9H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine?
1-(2,2-difluoroethyl)-3-methylpyrazol-4-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 1-(2,2-difluoroethyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 19622844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).