3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid

C10H15N3O3 — CID 114556130

IUPAC3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid
SMILESCCCn1nccc1C(CC(=O)O)NC=O
InChIInChI=1S/C10H15N3O3/c1-2-5-13-9(3-4-12-13)8(11-7-14)6-10(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyQVGTZHBQRVUPDO-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.55
Rot. Bonds7

About 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid

3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid (PubChem CID 114556130) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid
PubChem CID114556130
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid
SMILESCCCn1nccc1C(CC(=O)O)NC=O
InChIInChI=1S/C10H15N3O3/c1-2-5-13-9(3-4-12-13)8(11-7-14)6-10(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,11,14)(H,15,16)
InChIKeyQVGTZHBQRVUPDO-UHFFFAOYSA-N
XLogP0.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-formamido-3-(2-propylpyrazol-3-yl)propanoic 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-formamido-3-(2-propylpyrazol-3-yl)propanoic acid?
The IUPAC name of 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid (CID 114556130) is 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid is CCCn1nccc1C(CC(=O)O)NC=O.
What is the InChIKey of 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid?
The InChIKey is QVGTZHBQRVUPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-5-13-9(3-4-12-13)8(11-7-14)6-10(15)16/h3-4,7-8H,2,5-6H2,1H3,(H,11,14)(H,15,16).
What are the key properties of 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid?
3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-3-(2-propylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 114556130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).