2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine

C14H28N6 — CID 62889323

IUPAC2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1nn(C)c(N2CCN(CCN(C)C)CC2)c1CN
InChIInChI=1S/C14H28N6/c1-12-13(11-15)14(18(4)16-12)20-9-7-19(8-10-20)6-5-17(2)3/h5-11,15H2,1-4H3
InChIKeyCAWFNRXRXCWYBA-UHFFFAOYSA-N
MW280.42 g/mol
LogP-0.13
Rot. Bonds5

About 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62889323) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62889323
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCc1nn(C)c(N2CCN(CCN(C)C)CC2)c1CN
InChIInChI=1S/C14H28N6/c1-12-13(11-15)14(18(4)16-12)20-9-7-19(8-10-20)6-5-17(2)3/h5-11,15H2,1-4H3
InChIKeyCAWFNRXRXCWYBA-UHFFFAOYSA-N
XLogP-0.13
TPSA53.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62889323) is 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine is Cc1nn(C)c(N2CCN(CCN(C)C)CC2)c1CN.
What is the InChIKey of 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is CAWFNRXRXCWYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-12-13(11-15)14(18(4)16-12)20-9-7-19(8-10-20)6-5-17(2)3/h5-11,15H2,1-4H3.
What are the key properties of 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 280.42 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62889323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).