2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid

C12H15N5O3 — CID 19622094

IUPAC2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCCn2cccn2)cn1
InChIInChI=1S/C12H15N5O3/c1-9(12(19)20)17-8-10(7-15-17)11(18)13-4-6-16-5-2-3-14-16/h2-3,5,7-9H,4,6H2,1H3,(H,13,18)(H,19,20)
InChIKeyDLQLMKCNEPDROI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.16
Rot. Bonds6

About 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19622094) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19622094
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1cc(C(=O)NCCn2cccn2)cn1
InChIInChI=1S/C12H15N5O3/c1-9(12(19)20)17-8-10(7-15-17)11(18)13-4-6-16-5-2-3-14-16/h2-3,5,7-9H,4,6H2,1H3,(H,13,18)(H,19,20)
InChIKeyDLQLMKCNEPDROI-UHFFFAOYSA-N
XLogP0.16
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19622094) is 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1cc(C(=O)NCCn2cccn2)cn1.
What is the InChIKey of 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is DLQLMKCNEPDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-9(12(19)20)17-8-10(7-15-17)11(18)13-4-6-16-5-2-3-14-16/h2-3,5,7-9H,4,6H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).