5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

C12H19N5 — CID 63758006

IUPAC5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CC(C)NC(C)C2)c1C#N
InChIInChI=1S/C12H19N5/c1-8-6-17(7-9(2)14-8)12-11(5-13)10(3)15-16(12)4/h8-9,14H,6-7H2,1-4H3
InChIKeyCPAJMONHWVFCSH-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.79
Rot. Bonds1

About 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile

5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63758006) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63758006
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CC(C)NC(C)C2)c1C#N
InChIInChI=1S/C12H19N5/c1-8-6-17(7-9(2)14-8)12-11(5-13)10(3)15-16(12)4/h8-9,14H,6-7H2,1-4H3
InChIKeyCPAJMONHWVFCSH-UHFFFAOYSA-N
XLogP0.79
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile (CID 63758006) is 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N2CC(C)NC(C)C2)c1C#N.
What is the InChIKey of 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is CPAJMONHWVFCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-6-17(7-9(2)14-8)12-11(5-13)10(3)15-16(12)4/h8-9,14H,6-7H2,1-4H3.
What are the key properties of 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile?
5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 233.32 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63758006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).