2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine

C21H17N3O — CID 56930184

IUPAC2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)cnn2-c2ccccn2)cc1
InChIInChI=1S/C21H17N3O/c1-25-18-12-10-17(11-13-18)21-19(16-7-3-2-4-8-16)15-23-24(21)20-9-5-6-14-22-20/h2-15H,1H3
InChIKeyUSIBXNLNNDPVJL-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.61
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine

2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine (PubChem CID 56930184) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine
PubChem CID56930184
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2c(-c3ccccc3)cnn2-c2ccccn2)cc1
InChIInChI=1S/C21H17N3O/c1-25-18-12-10-17(11-13-18)21-19(16-7-3-2-4-8-16)15-23-24(21)20-9-5-6-14-22-20/h2-15H,1H3
InChIKeyUSIBXNLNNDPVJL-UHFFFAOYSA-N
XLogP4.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
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5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036276
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
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2-[4-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]ethynyl-trimethylsilane
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1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-pyridin-2-ylpyrazol-5-amine
CID 1474438
2-(4-phenyltriazol-2-yl)pyridine
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5-(4-methoxyphenyl)-1-phenyl-4-phenylselanylpyrazole
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6-methoxy-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinolin-4-amine
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6-(3-methoxy-2-methylphenyl)-2-pyridin-2-ylphthalazin-1-one
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6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one
CID 138488340

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine?
The IUPAC name of 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine (CID 56930184) is 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine is COc1ccc(-c2c(-c3ccccc3)cnn2-c2ccccn2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine?
The InChIKey is USIBXNLNNDPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-25-18-12-10-17(11-13-18)21-19(16-7-3-2-4-8-16)15-23-24(21)20-9-5-6-14-22-20/h2-15H,1H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine?
2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine has a molecular weight of 327.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]pyridine is sourced from PubChem (CID 56930184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).