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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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).