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

C6H8F3N3 — CID 71648008

IUPACN,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C6H8F3N3/c1-10-5-3-4(6(7,8)9)11-12(5)2/h3,10H,1-2H3
InChIKeyDFHBZKAIYSSXCC-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.48
Rot. Bonds1

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

N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 71648008) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID71648008
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC NameN,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C6H8F3N3/c1-10-5-3-4(6(7,8)9)11-12(5)2/h3,10H,1-2H3
InChIKeyDFHBZKAIYSSXCC-UHFFFAOYSA-N
XLogP1.48
TPSA29.85 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 ≤ 51.48
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-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
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
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
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine (CID 71648008) is N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine is CNc1cc(C(F)(F)F)nn1C.
What is the InChIKey of N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is DFHBZKAIYSSXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-10-5-3-4(6(7,8)9)11-12(5)2/h3,10H,1-2H3.
What are the key properties of N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine?
N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 179.15 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 71648008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).