1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine

C6H9F2N3 — CID 19622837

IUPAC1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)F
InChIInChI=1S/C6H9F2N3/c1-4-2-6(9)10-11(4)3-5(7)8/h2,5H,3H2,1H3,(H2,9,10)
InChIKeyLLXBIIRIFIDKLB-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.04
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine

1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine (PubChem CID 19622837) has the molecular formula C6H9F2N3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine
PubChem CID19622837
Molecular FormulaC6H9F2N3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)F
InChIInChI=1S/C6H9F2N3/c1-4-2-6(9)10-11(4)3-5(7)8/h2,5H,3H2,1H3,(H2,9,10)
InChIKeyLLXBIIRIFIDKLB-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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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-tert-Butyl-3-methyl-1H-pyrazol-5-amine
CID 737200
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
1-Cyclopentyl-3-methyl-1H-pyrazol-5-amine
CID 3152524
1-Cyclohexyl-3-methyl-1H-pyrazol-5-amine
CID 4571951
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
5-Amino-N,N,3-trimethyl-1H-pyrazole-1-ethanamine
CID 2758501

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine (CID 19622837) is 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine is Cc1cc(N)nn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
The InChIKey is LLXBIIRIFIDKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3/c1-4-2-6(9)10-11(4)3-5(7)8/h2,5H,3H2,1H3,(H2,9,10).
What are the key properties of 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine?
1-(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 1-(2,2-difluoroethyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 19622837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).