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

C12H21F3N4 — CID 66018428

IUPAC1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H21F3N4/c1-7(2)10-9(16)11(18(5)17-10)19(8(3)4)6-12(13,14)15/h7-8H,6,16H2,1-5H3
InChIKeyOTDKYNATLYXHPX-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.90
Rot. Bonds4

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

1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66018428) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66018428
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(N(CC(F)(F)F)C(C)C)c1N
InChIInChI=1S/C12H21F3N4/c1-7(2)10-9(16)11(18(5)17-10)19(8(3)4)6-12(13,14)15/h7-8H,6,16H2,1-5H3
InChIKeyOTDKYNATLYXHPX-UHFFFAOYSA-N
XLogP2.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66018428) is 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CC(C)c1nn(C)c(N(CC(F)(F)F)C(C)C)c1N.
What is the InChIKey of 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is OTDKYNATLYXHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c1-7(2)10-9(16)11(18(5)17-10)19(8(3)4)6-12(13,14)15/h7-8H,6,16H2,1-5H3.
What are the key properties of 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 278.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N,3-di(propan-2-yl)-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66018428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).