2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid

C13H10N4O2 — CID 62251348

IUPAC2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnn(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C13H10N4O2/c18-13(19)11-7-14-12(16-11)9-6-15-17(8-9)10-4-2-1-3-5-10/h1-8H,(H,14,16)(H,18,19)
InChIKeyFJFXIUXCPUHQIW-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.96
Rot. Bonds3

About 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid

2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid (PubChem CID 62251348) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid
PubChem CID62251348
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cnn(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C13H10N4O2/c18-13(19)11-7-14-12(16-11)9-6-15-17(8-9)10-4-2-1-3-5-10/h1-8H,(H,14,16)(H,18,19)
InChIKeyFJFXIUXCPUHQIW-UHFFFAOYSA-N
XLogP1.96
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1H-imidazole-5-carboxylic acid;hydrate
CID 2738138
1-[[5-(1-phenylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 126610142
5-fluoro-2-(1-phenylpyrazol-4-yl)benzoic acid
CID 61026437
2-methyl-2-[4-(1-phenylpyrazol-4-yl)phenyl]propanoic acid
CID 82039922
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296
2-thiophen-2-yl-1H-imidazole-5-carboxylic acid
CID 62252826
2-quinolin-4-yl-1H-imidazole-5-carboxylic acid
CID 63867192
2-(3-fluoro-4-methylphenyl)-1H-imidazole-5-carboxylic acid
CID 62252489
2-(5-methylthiophen-3-yl)-1H-imidazole-5-carboxylic acid
CID 130697506
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
2-aminoacetic acid;3-hydroxy-4-methyl-5-(1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 175581678

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid (CID 62251348) is 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid is O=C(O)c1cnc(-c2cnn(-c3ccccc3)c2)[nH]1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid?
The InChIKey is FJFXIUXCPUHQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)11-7-14-12(16-11)9-6-15-17(8-9)10-4-2-1-3-5-10/h1-8H,(H,14,16)(H,18,19).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid?
2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62251348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).