1H-imidazole;1H-pyrazole-5-carboxylic acid

C7H8N4O2 — CID 69227863

IUPAC1H-imidazole;1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1ccn[nH]1.c1c[nH]cn1
InChIInChI=1S/C4H4N2O2.C3H4N2/c7-4(8)3-1-2-5-6-3;1-2-5-3-4-1/h1-2H,(H,5,6)(H,7,8);1-3H,(H,4,5)
InChIKeyXZZZHGPYSJDSQA-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.52
Rot. Bonds1

About 1H-imidazole;1H-pyrazole-5-carboxylic acid

1H-imidazole;1H-pyrazole-5-carboxylic acid (PubChem CID 69227863) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1H-imidazole;1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1H-imidazole;1H-pyrazole-5-carboxylic acid
PubChem CID69227863
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1H-imidazole;1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1ccn[nH]1.c1c[nH]cn1
InChIInChI=1S/C4H4N2O2.C3H4N2/c7-4(8)3-1-2-5-6-3;1-2-5-3-4-1/h1-2H,(H,5,6)(H,7,8);1-3H,(H,4,5)
InChIKeyXZZZHGPYSJDSQA-UHFFFAOYSA-N
XLogP0.52
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1H-pyrazole-5-carboxylic acid?
The IUPAC name of 1H-imidazole;1H-pyrazole-5-carboxylic acid (CID 69227863) is 1H-imidazole;1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 1H-imidazole;1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 1H-imidazole;1H-pyrazole-5-carboxylic acid is O=C(O)c1ccn[nH]1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;1H-pyrazole-5-carboxylic acid?
The InChIKey is XZZZHGPYSJDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C3H4N2/c7-4(8)3-1-2-5-6-3;1-2-5-3-4-1/h1-2H,(H,5,6)(H,7,8);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;1H-pyrazole-5-carboxylic acid?
1H-imidazole;1H-pyrazole-5-carboxylic acid has a molecular weight of 180.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 69227863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).