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

C11H17F3N4 — CID 66013824

IUPAC5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N4/c1-3-18-10(9(15)7(2)16-18)17(8-4-5-8)6-11(12,13)14/h8H,3-6,15H2,1-2H3
InChIKeyXYLMUEUNEAGZGT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.32
Rot. Bonds4

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

5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66013824) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66013824
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H17F3N4/c1-3-18-10(9(15)7(2)16-18)17(8-4-5-8)6-11(12,13)14/h8H,3-6,15H2,1-2H3
InChIKeyXYLMUEUNEAGZGT-UHFFFAOYSA-N
XLogP2.32
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66013824) is 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is XYLMUEUNEAGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-18-10(9(15)7(2)16-18)17(8-4-5-8)6-11(12,13)14/h8H,3-6,15H2,1-2H3.
What are the key properties of 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66013824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).