2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid

C19H15N5O2 — CID 90407430

IUPAC2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O2/c1-23-12-21-17(16-11-14(19(25)26)7-9-20-16)18(23)13-3-5-15(6-4-13)24-10-2-8-22-24/h2-12H,1H3,(H,25,26)
InChIKeyZQVGHRRKWOITDJ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407430) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407430
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H15N5O2/c1-23-12-21-17(16-11-14(19(25)26)7-9-20-16)18(23)13-3-5-15(6-4-13)24-10-2-8-22-24/h2-12H,1H3,(H,25,26)
InChIKeyZQVGHRRKWOITDJ-UHFFFAOYSA-N
XLogP3.03
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407430) is 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is ZQVGHRRKWOITDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-23-12-21-17(16-11-14(19(25)26)7-9-20-16)18(23)13-3-5-15(6-4-13)24-10-2-8-22-24/h2-12H,1H3,(H,25,26).
What are the key properties of 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(4-pyrazol-1-ylphenyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).