2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine

C12H23N5 — CID 63783708

IUPAC2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(N2CCN(C)CC2)c1CCN
InChIInChI=1S/C12H23N5/c1-10-11(4-5-13)12(16(3)14-10)17-8-6-15(2)7-9-17/h4-9,13H2,1-3H3
InChIKeyGJAPUBQHSFTYGX-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.02
Rot. Bonds3

About 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine

2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine (PubChem CID 63783708) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
PubChem CID63783708
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
SMILESCc1nn(C)c(N2CCN(C)CC2)c1CCN
InChIInChI=1S/C12H23N5/c1-10-11(4-5-13)12(16(3)14-10)17-8-6-15(2)7-9-17/h4-9,13H2,1-3H3
InChIKeyGJAPUBQHSFTYGX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine (CID 63783708) is 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine is Cc1nn(C)c(N2CCN(C)CC2)c1CCN.
What is the InChIKey of 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine?
The InChIKey is GJAPUBQHSFTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10-11(4-5-13)12(16(3)14-10)17-8-6-15(2)7-9-17/h4-9,13H2,1-3H3.
What are the key properties of 2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine?
2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-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-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 63783708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).