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

C11H19F3N4 — CID 66018418

IUPAC5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCN(CC(F)(F)F)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H19F3N4/c1-5-18(6-11(12,13)14)10-8(15)9(7(2)3)16-17(10)4/h7H,5-6,15H2,1-4H3
InChIKeyDBMXDPSKMGGMCR-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.51
Rot. Bonds4

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

5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66018418) has the molecular formula C11H19F3N4 and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66018418
Molecular FormulaC11H19F3N4
Molecular Weight264.30 g/mol
Exact Mass264.16
IUPAC Name5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCN(CC(F)(F)F)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H19F3N4/c1-5-18(6-11(12,13)14)10-8(15)9(7(2)3)16-17(10)4/h7H,5-6,15H2,1-4H3
InChIKeyDBMXDPSKMGGMCR-UHFFFAOYSA-N
XLogP2.51
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66018418) is 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCN(CC(F)(F)F)c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is DBMXDPSKMGGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-5-18(6-11(12,13)14)10-8(15)9(7(2)3)16-17(10)4/h7H,5-6,15H2,1-4H3.
What are the key properties of 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 264.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1-methyl-3-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).