1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid

C10H11N5O3 — CID 107496974

IUPAC1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)c1cn[nH]c1
InChIInChI=1S/C10H11N5O3/c16-9(7-3-13-14-4-7)11-1-2-15-5-8(10(17)18)12-6-15/h3-6H,1-2H2,(H,11,16)(H,13,14)(H,17,18)
InChIKeyIZVJIFOBLZUANV-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.27
Rot. Bonds5

About 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107496974) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107496974
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)c1cn[nH]c1
InChIInChI=1S/C10H11N5O3/c16-9(7-3-13-14-4-7)11-1-2-15-5-8(10(17)18)12-6-15/h3-6H,1-2H2,(H,11,16)(H,13,14)(H,17,18)
InChIKeyIZVJIFOBLZUANV-UHFFFAOYSA-N
XLogP-0.27
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid (CID 107496974) is 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid is O=C(NCCn1cnc(C(=O)O)c1)c1cn[nH]c1.
What is the InChIKey of 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is IZVJIFOBLZUANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-9(7-3-13-14-4-7)11-1-2-15-5-8(10(17)18)12-6-15/h3-6H,1-2H2,(H,11,16)(H,13,14)(H,17,18).
What are the key properties of 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).