5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C6H8F3N3 — CID 19622835

IUPAC5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11)
InChIKeyKTWXVQOHLGSELI-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.34
Rot. Bonds1

About 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 19622835) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID19622835
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11)
InChIKeyKTWXVQOHLGSELI-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.34
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 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 19622835) is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cc1cc(N)nn1CC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is KTWXVQOHLGSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-4-2-5(10)11-12(4)3-6(7,8)9/h2H,3H2,1H3,(H2,10,11).
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 179.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19622835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).