5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C10H17F3N4 — CID 66014216

IUPAC5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(CC)CC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-4-7-8(14)9(16(3)15-7)17(5-2)6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyROFRGJIRGJHJRF-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.95
Rot. Bonds4

About 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66014216) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66014216
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(CC)CC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4/c1-4-7-8(14)9(16(3)15-7)17(5-2)6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyROFRGJIRGJHJRF-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66014216) is 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCc1nn(C)c(N(CC)CC(F)(F)F)c1N.
What is the InChIKey of 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is ROFRGJIRGJHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-4-7-8(14)9(16(3)15-7)17(5-2)6-10(11,12)13/h4-6,14H2,1-3H3.
What are the key properties of 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66014216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).