3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid

C8H14N4O2 — CID 118525712

IUPAC3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid
SMILESCC(N)CN(C)c1ccn(C(=O)O)n1
InChIInChI=1S/C8H14N4O2/c1-6(9)5-11(2)7-3-4-12(10-7)8(13)14/h3-4,6H,5,9H2,1-2H3,(H,13,14)
InChIKeyQOLSSYWYHZPQCI-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.19
Rot. Bonds3

About 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid

3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid (PubChem CID 118525712) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid
PubChem CID118525712
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid
SMILESCC(N)CN(C)c1ccn(C(=O)O)n1
InChIInChI=1S/C8H14N4O2/c1-6(9)5-11(2)7-3-4-12(10-7)8(13)14/h3-4,6H,5,9H2,1-2H3,(H,13,14)
InChIKeyQOLSSYWYHZPQCI-UHFFFAOYSA-N
XLogP0.19
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid 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-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid?
The IUPAC name of 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid (CID 118525712) is 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid.
What is the SMILES notation for 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid?
The canonical SMILES for 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid is CC(N)CN(C)c1ccn(C(=O)O)n1.
What is the InChIKey of 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid?
The InChIKey is QOLSSYWYHZPQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-6(9)5-11(2)7-3-4-12(10-7)8(13)14/h3-4,6H,5,9H2,1-2H3,(H,13,14).
What are the key properties of 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid?
3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid has a molecular weight of 198.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminopropyl(methyl)amino]pyrazole-1-carboxylic acid is sourced from PubChem (CID 118525712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).