5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine

C12H23N5 — CID 114086152

IUPAC5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCN(C)CC2C)c1N
InChIInChI=1S/C12H23N5/c1-5-10-11(13)12(16(4)14-10)17-7-6-15(3)8-9(17)2/h9H,5-8,13H2,1-4H3
InChIKeyXOTPKBGHPZENKS-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.70
Rot. Bonds2

About 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine

5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 114086152) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID114086152
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CCN(C)CC2C)c1N
InChIInChI=1S/C12H23N5/c1-5-10-11(13)12(16(4)14-10)17-7-6-15(3)8-9(17)2/h9H,5-8,13H2,1-4H3
InChIKeyXOTPKBGHPZENKS-UHFFFAOYSA-N
XLogP0.70
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine 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 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 114086152) is 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CCN(C)CC2C)c1N.
What is the InChIKey of 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is XOTPKBGHPZENKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-10-11(13)12(16(4)14-10)17-7-6-15(3)8-9(17)2/h9H,5-8,13H2,1-4H3.
What are the key properties of 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 114086152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).