3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile

C15H19N7 — CID 166906197

IUPAC3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(CN3CCNCC3)cn2)nc1CN
InChIInChI=1S/C15H19N7/c16-7-13-11-22(20-14(13)8-17)15-2-1-12(9-19-15)10-21-5-3-18-4-6-21/h1-2,9,11,18H,3-6,8,10,17H2
InChIKeyQFRIJCCUIWQMGV-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.00
Rot. Bonds4

About 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile

3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile (PubChem CID 166906197) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
PubChem CID166906197
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(CN3CCNCC3)cn2)nc1CN
InChIInChI=1S/C15H19N7/c16-7-13-11-22(20-14(13)8-17)15-2-1-12(9-19-15)10-21-5-3-18-4-6-21/h1-2,9,11,18H,3-6,8,10,17H2
InChIKeyQFRIJCCUIWQMGV-UHFFFAOYSA-N
XLogP0.00
TPSA95.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile 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 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The IUPAC name of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile (CID 166906197) is 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile is N#Cc1cn(-c2ccc(CN3CCNCC3)cn2)nc1CN.
What is the InChIKey of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
The InChIKey is QFRIJCCUIWQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c16-7-13-11-22(20-14(13)8-17)15-2-1-12(9-19-15)10-21-5-3-18-4-6-21/h1-2,9,11,18H,3-6,8,10,17H2.
What are the key properties of 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile?
3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile has a molecular weight of 297.37 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 166906197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).