5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid

C8H14N4O2 — CID 82589265

IUPAC5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid
SMILESCN(C)CCn1nc(C(=O)O)cc1N
InChIInChI=1S/C8H14N4O2/c1-11(2)3-4-12-7(9)5-6(10-12)8(13)14/h5H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyYLNPKASPSBHRMF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.27
Rot. Bonds4

About 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid

5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid (PubChem CID 82589265) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid
PubChem CID82589265
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid
SMILESCN(C)CCn1nc(C(=O)O)cc1N
InChIInChI=1S/C8H14N4O2/c1-11(2)3-4-12-7(9)5-6(10-12)8(13)14/h5H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyYLNPKASPSBHRMF-UHFFFAOYSA-N
XLogP-0.27
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-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 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid (CID 82589265) is 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid is CN(C)CCn1nc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid?
The InChIKey is YLNPKASPSBHRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-11(2)3-4-12-7(9)5-6(10-12)8(13)14/h5H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid?
5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid has a molecular weight of 198.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(dimethylamino)ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 82589265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).