2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine

C12H23N5 — CID 83088573

IUPAC2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCN(C)CC1
InChIInChI=1S/C12H23N5/c1-10-11(9-16(3)14-10)12(8-13)17-6-4-15(2)5-7-17/h9,12H,4-8,13H2,1-3H3
InChIKeyRDPSREYBRJUFML-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.02
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine

2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 83088573) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID83088573
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCc1nn(C)cc1C(CN)N1CCN(C)CC1
InChIInChI=1S/C12H23N5/c1-10-11(9-16(3)14-10)12(8-13)17-6-4-15(2)5-7-17/h9,12H,4-8,13H2,1-3H3
InChIKeyRDPSREYBRJUFML-UHFFFAOYSA-N
XLogP-0.02
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine 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 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 83088573) is 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine is Cc1nn(C)cc1C(CN)N1CCN(C)CC1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is RDPSREYBRJUFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10-11(9-16(3)14-10)12(8-13)17-6-4-15(2)5-7-17/h9,12H,4-8,13H2,1-3H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine?
2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 83088573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).