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

C11H19F3N4 — CID 66010893

IUPAC1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N4/c1-5-18-10(9(15)8(4)16-18)17(7(2)3)6-11(12,13)14/h7H,5-6,15H2,1-4H3
InChIKeyRAZIVTRJJYFDHV-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.57
Rot. Bonds4

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

1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66010893) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66010893
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H19F3N4/c1-5-18-10(9(15)8(4)16-18)17(7(2)3)6-11(12,13)14/h7H,5-6,15H2,1-4H3
InChIKeyRAZIVTRJJYFDHV-UHFFFAOYSA-N
XLogP2.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66010893) is 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1N(CC(F)(F)F)C(C)C.
What is the InChIKey of 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is RAZIVTRJJYFDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-5-18-10(9(15)8(4)16-18)17(7(2)3)6-11(12,13)14/h7H,5-6,15H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66010893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).