5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C10H17F3N4 — CID 66027818

IUPAC5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)CC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-4-5-17-9(8(14)7(2)15-17)16(3)6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyALLWOPXLTKKZIA-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.18
Rot. Bonds4

About 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66027818) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66027818
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1N(C)CC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-4-5-17-9(8(14)7(2)15-17)16(3)6-10(11,12)13/h4-6,14H2,1-3H3
InChIKeyALLWOPXLTKKZIA-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66027818) is 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1N(C)CC(F)(F)F.
What is the InChIKey of 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is ALLWOPXLTKKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-4-5-17-9(8(14)7(2)15-17)16(3)6-10(11,12)13/h4-6,14H2,1-3H3.
What are the key properties of 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 250.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,3-dimethyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66027818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).