2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid

C11H13N5O3 — CID 19622092

IUPAC2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCc2ccn[nH]2)cn1
InChIInChI=1S/C11H13N5O3/c1-7(11(18)19)16-6-8(4-14-16)10(17)12-5-9-2-3-13-15-9/h2-4,6-7H,5H2,1H3,(H,12,17)(H,13,15)(H,18,19)
InChIKeyUNMVBNGEAZQBBZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.18
Rot. Bonds5

About 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622092) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622092
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCc2ccn[nH]2)cn1
InChIInChI=1S/C11H13N5O3/c1-7(11(18)19)16-6-8(4-14-16)10(17)12-5-9-2-3-13-15-9/h2-4,6-7H,5H2,1H3,(H,12,17)(H,13,15)(H,18,19)
InChIKeyUNMVBNGEAZQBBZ-UHFFFAOYSA-N
XLogP0.18
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-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 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622092) is 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)NCc2ccn[nH]2)cn1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is UNMVBNGEAZQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7(11(18)19)16-6-8(4-14-16)10(17)12-5-9-2-3-13-15-9/h2-4,6-7H,5H2,1H3,(H,12,17)(H,13,15)(H,18,19).
What are the key properties of 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 263.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).