1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine

C6H8F3N3 — CID 86207981

IUPAC1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1nn(C)c(C(F)(F)F)c1N
InChIInChI=1S/C6H8F3N3/c1-3-4(10)5(6(7,8)9)12(2)11-3/h10H2,1-2H3
InChIKeyALHNHOJQWBOCSJ-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.33
Rot. Bonds

About 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine

1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine (PubChem CID 86207981) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
PubChem CID86207981
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine
SMILESCc1nn(C)c(C(F)(F)F)c1N
InChIInChI=1S/C6H8F3N3/c1-3-4(10)5(6(7,8)9)12(2)11-3/h10H2,1-2H3
InChIKeyALHNHOJQWBOCSJ-UHFFFAOYSA-N
XLogP1.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033
5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 132586028
3,4-dibromo-1-methyl-5-(trifluoromethyl)pyrazole
CID 162614805
3,4-dichloro-1-methyl-5-(trifluoromethyl)pyrazole
CID 11820701
3,5-dimethyl-1-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 170918200
5-ethynyl-1,3-dimethylpyrazol-4-amine
CID 45079261
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
1,3-dimethyl-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4,5-diamine
CID 43554040
5-ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-N-(3,3-dimethylbutan-2-yl)-1,3-dimethylpyrazole-4,5-diamine
CID 104827479
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122417
2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 12774391

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine (CID 86207981) is 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine is Cc1nn(C)c(C(F)(F)F)c1N.
What is the InChIKey of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is ALHNHOJQWBOCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3-4(10)5(6(7,8)9)12(2)11-3/h10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine?
1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 179.15 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 86207981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).