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

C9H15F3N4 — CID 66027598

IUPAC3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCC(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-3-4-16-8(7(13)6(2)15-16)14-5-9(10,11)12/h14H,3-5,13H2,1-2H3
InChIKeyXUYVKJHXFKRJEN-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.16
Rot. Bonds4

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

3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66027598) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66027598
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCC(F)(F)F
InChIInChI=1S/C9H15F3N4/c1-3-4-16-8(7(13)6(2)15-16)14-5-9(10,11)12/h14H,3-5,13H2,1-2H3
InChIKeyXUYVKJHXFKRJEN-UHFFFAOYSA-N
XLogP2.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66027598) is 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCC(F)(F)F.
What is the InChIKey of 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is XUYVKJHXFKRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-3-4-16-8(7(13)6(2)15-16)14-5-9(10,11)12/h14H,3-5,13H2,1-2H3.
What are the key properties of 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 236.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66027598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).