5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine

C8H14F2N4 — CID 115405464

IUPAC5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCC(F)F
InChIInChI=1S/C8H14F2N4/c1-3-14-8(12-4-6(9)10)7(11)5(2)13-14/h6,12H,3-4,11H2,1-2H3
InChIKeyBFENJTLQYOCDHU-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.47
Rot. Bonds4

About 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 115405464) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID115405464
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCC(F)F
InChIInChI=1S/C8H14F2N4/c1-3-14-8(12-4-6(9)10)7(11)5(2)13-14/h6,12H,3-4,11H2,1-2H3
InChIKeyBFENJTLQYOCDHU-UHFFFAOYSA-N
XLogP1.47
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 114092970
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
1-ethyl-3-methyl-5-N-(4-methylpentyl)pyrazole-4,5-diamine
CID 66012859
1-ethyl-3-methyl-5-N-(5-methylhexyl)pyrazole-4,5-diamine
CID 113287312
1-ethyl-3-methyl-5-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-4,5-diamine
CID 106426553
3-[[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]methyl]pentan-3-ol
CID 66012284
5-N-(2-ethoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012621
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-2,3-dimethylbutan-2-ol
CID 106183736
5-N-(2-cyclopentylethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66011257
5-N-(2-butoxyethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012649
5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66013047

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 115405464) is 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCC(F)F.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is BFENJTLQYOCDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-3-14-8(12-4-6(9)10)7(11)5(2)13-14/h6,12H,3-4,11H2,1-2H3.
What are the key properties of 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 204.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 115405464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).