3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine

C6H10F2N4 — CID 103078760

IUPAC3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCC(F)F)n1
InChIInChI=1S/C6H10F2N4/c1-12-3-4(9)6(11-12)10-2-5(7)8/h3,5H,2,9H2,1H3,(H,10,11)
InChIKeyAHQKRGIKMWBKPC-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.68
Rot. Bonds3

About 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine

3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078760) has the molecular formula C6H10F2N4 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine
PubChem CID103078760
Molecular FormulaC6H10F2N4
Molecular Weight176.17 g/mol
Exact Mass176.09
IUPAC Name3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(NCC(F)F)n1
InChIInChI=1S/C6H10F2N4/c1-12-3-4(9)6(11-12)10-2-5(7)8/h3,5H,2,9H2,1H3,(H,10,11)
InChIKeyAHQKRGIKMWBKPC-UHFFFAOYSA-N
XLogP0.68
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine (CID 103078760) is 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine is Cn1cc(N)c(NCC(F)F)n1.
What is the InChIKey of 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine?
The InChIKey is AHQKRGIKMWBKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4/c1-12-3-4(9)6(11-12)10-2-5(7)8/h3,5H,2,9H2,1H3,(H,10,11).
What are the key properties of 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine?
3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine has a molecular weight of 176.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-difluoroethyl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).