3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile

C7H11N5 — CID 2398027

IUPAC3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCCN
InChIInChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12)
InChIKeyAALOEZGCFHDEHM-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.25
Rot. Bonds3

About 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile

3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile (PubChem CID 2398027) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
PubChem CID2398027
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCCN
InChIInChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12)
InChIKeyAALOEZGCFHDEHM-UHFFFAOYSA-N
XLogP-0.25
TPSA104.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-5-(3-aminopropyl)-1H-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-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile (CID 2398027) is 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1CCCN.
What is the InChIKey of 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is AALOEZGCFHDEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-3-1-2-6-5(4-9)7(10)12-11-6/h1-3,8H2,(H3,10,11,12).
What are the key properties of 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile?
3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 165.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-aminopropyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 2398027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).