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

C11H19F3N4 — CID 66015014

IUPAC3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C11H19F3N4/c1-5-8-9(15)10(17(4)16-8)18(7(2)3)6-11(12,13)14/h7H,5-6,15H2,1-4H3
InChIKeyGRKOKKUITZWAKW-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.34
Rot. Bonds4

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

3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66015014) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66015014
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C11H19F3N4/c1-5-8-9(15)10(17(4)16-8)18(7(2)3)6-11(12,13)14/h7H,5-6,15H2,1-4H3
InChIKeyGRKOKKUITZWAKW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66015014) is 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCc1nn(C)c(N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is GRKOKKUITZWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-5-8-9(15)10(17(4)16-8)18(7(2)3)6-11(12,13)14/h7H,5-6,15H2,1-4H3.
What are the key properties of 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
3-ethyl-1-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 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66015014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).