2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid

C12H13N5O3 — CID 60829408

IUPAC2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2(NC(=O)c3ccn[nH]3)CCC2)[nH]1
InChIInChI=1S/C12H13N5O3/c18-9(7-2-5-14-17-7)16-12(3-1-4-12)11-13-6-8(15-11)10(19)20/h2,5-6H,1,3-4H2,(H,13,15)(H,14,17)(H,16,18)(H,19,20)
InChIKeyZLSNJUZLHWXCTQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.64
Rot. Bonds4

About 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid

2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid (PubChem CID 60829408) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
PubChem CID60829408
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2(NC(=O)c3ccn[nH]3)CCC2)[nH]1
InChIInChI=1S/C12H13N5O3/c18-9(7-2-5-14-17-7)16-12(3-1-4-12)11-13-6-8(15-11)10(19)20/h2,5-6H,1,3-4H2,(H,13,15)(H,14,17)(H,16,18)(H,19,20)
InChIKeyZLSNJUZLHWXCTQ-UHFFFAOYSA-N
XLogP0.64
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid (CID 60829408) is 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(C2(NC(=O)c3ccn[nH]3)CCC2)[nH]1.
What is the InChIKey of 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is ZLSNJUZLHWXCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c18-9(7-2-5-14-17-7)16-12(3-1-4-12)11-13-6-8(15-11)10(19)20/h2,5-6H,1,3-4H2,(H,13,15)(H,14,17)(H,16,18)(H,19,20).
What are the key properties of 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid?
2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrazole-5-carbonylamino)cyclobutyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 60829408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).