3-(dipropylamino)-1H-pyrazole-5-carboxylic acid

C10H17N3O2 — CID 11992592

IUPAC3-(dipropylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCCN(CCC)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)9-7-8(10(14)15)11-12-9/h7H,3-6H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyBXTCTDFOGVZXHP-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.73
Rot. Bonds6

About 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid

3-(dipropylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 11992592) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(dipropylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID11992592
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(dipropylamino)-1H-pyrazole-5-carboxylic acid
SMILESCCCN(CCC)c1cc(C(=O)O)[nH]n1
InChIInChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)9-7-8(10(14)15)11-12-9/h7H,3-6H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyBXTCTDFOGVZXHP-UHFFFAOYSA-N
XLogP1.73
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(dipropylamino)-1H-pyrazole-5-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-(dipropylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid (CID 11992592) is 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid is CCCN(CCC)c1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is BXTCTDFOGVZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-5-13(6-4-2)9-7-8(10(14)15)11-12-9/h7H,3-6H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid?
3-(dipropylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 11992592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).