1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine

C6H9F3N4 — CID 103077867

IUPAC1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCC(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-13-2-4(10)5(12-13)11-3-6(7,8)9/h2H,3,10H2,1H3,(H,11,12)
InChIKeyPVAFNMUIHXZZEJ-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.98
Rot. Bonds2

About 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine

1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (PubChem CID 103077867) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
PubChem CID103077867
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(NCC(F)(F)F)n1
InChIInChI=1S/C6H9F3N4/c1-13-2-4(10)5(12-13)11-3-6(7,8)9/h2H,3,10H2,1H3,(H,11,12)
InChIKeyPVAFNMUIHXZZEJ-UHFFFAOYSA-N
XLogP0.98
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
N-(2-Aminoethyl)-1-methyl-1H-pyrazol-3-amine
CID 84076076
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
1-(2,2-difluoroethyl)-N-pentan-3-ylpyrazol-3-amine
CID 75483532
1-Methyl-1H-pyrazole-4,5-diamine dihydrochloride
CID 13525020
1-methyl-1H-pyrazole-3,4-diamine
CID 15166013
3-[2-(2,2,2-Trifluoroethyl)guanidino]-1-(3-aminopropyl)pyrazole
CID 21298766
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
4-Isocyano-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57556360
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3,4-diamine
CID 66509522

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (CID 103077867) is 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is Cn1cc(N)c(NCC(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The InChIKey is PVAFNMUIHXZZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-13-2-4(10)5(12-13)11-3-6(7,8)9/h2H,3,10H2,1H3,(H,11,12).
What are the key properties of 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine has a molecular weight of 194.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103077867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).