1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

C11H14F3N5 — CID 3796126

IUPAC1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCN1CCN(c2c(C#N)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C11H14F3N5/c1-17-3-5-19(6-4-17)10-8(7-15)9(11(12,13)14)16-18(10)2/h3-6H2,1-2H3
InChIKeyCZQVBBCSDDSTAD-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.06
Rot. Bonds1

About 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 3796126) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID3796126
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCN1CCN(c2c(C#N)c(C(F)(F)F)nn2C)CC1
InChIInChI=1S/C11H14F3N5/c1-17-3-5-19(6-4-17)10-8(7-15)9(11(12,13)14)16-18(10)2/h3-6H2,1-2H3
InChIKeyCZQVBBCSDDSTAD-UHFFFAOYSA-N
XLogP1.06
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 3796126) is 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is CN1CCN(c2c(C#N)c(C(F)(F)F)nn2C)CC1.
What is the InChIKey of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is CZQVBBCSDDSTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-17-3-5-19(6-4-17)10-8(7-15)9(11(12,13)14)16-18(10)2/h3-6H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 273.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 3796126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).