1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile

C11H15F3N4 — CID 63751479

IUPAC1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile
SMILESCCCN(CC(F)(F)F)c1c(C#N)c(C)nn1C
InChIInChI=1S/C11H15F3N4/c1-4-5-18(7-11(12,13)14)10-9(6-15)8(2)16-17(10)3/h4-5,7H2,1-3H3
InChIKeyVTHUUENQEVFBEA-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.38
Rot. Bonds4

About 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile (PubChem CID 63751479) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile
PubChem CID63751479
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile
SMILESCCCN(CC(F)(F)F)c1c(C#N)c(C)nn1C
InChIInChI=1S/C11H15F3N4/c1-4-5-18(7-11(12,13)14)10-9(6-15)8(2)16-17(10)3/h4-5,7H2,1-3H3
InChIKeyVTHUUENQEVFBEA-UHFFFAOYSA-N
XLogP2.38
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile (CID 63751479) is 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile is CCCN(CC(F)(F)F)c1c(C#N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile?
The InChIKey is VTHUUENQEVFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-4-5-18(7-11(12,13)14)10-9(6-15)8(2)16-17(10)3/h4-5,7H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile has a molecular weight of 260.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63751479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).