5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine

C8H14F2N4 — CID 122171341

IUPAC5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine
SMILESCN(Cc1cc(N)nn1C)CC(F)F
InChIInChI=1S/C8H14F2N4/c1-13(5-7(9)10)4-6-3-8(11)12-14(6)2/h3,7H,4-5H2,1-2H3,(H2,11,12)
InChIKeyQIGJDQXCUNBRJE-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.70
Rot. Bonds4

About 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine

5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine (PubChem CID 122171341) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine
PubChem CID122171341
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine
SMILESCN(Cc1cc(N)nn1C)CC(F)F
InChIInChI=1S/C8H14F2N4/c1-13(5-7(9)10)4-6-3-8(11)12-14(6)2/h3,7H,4-5H2,1-2H3,(H2,11,12)
InChIKeyQIGJDQXCUNBRJE-UHFFFAOYSA-N
XLogP0.70
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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
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
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
1-Sec-Butyl-3-Methyl-1H-Pyrazol-5-Amine
CID 19619868
1-Isobutyl-3-methyl-1H-pyrazol-5-amine
CID 19619869

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine (CID 122171341) is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine is CN(Cc1cc(N)nn1C)CC(F)F.
What is the InChIKey of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine?
The InChIKey is QIGJDQXCUNBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-13(5-7(9)10)4-6-3-8(11)12-14(6)2/h3,7H,4-5H2,1-2H3,(H2,11,12).
What are the key properties of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine?
5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine has a molecular weight of 204.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 122171341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).