3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole

C19H16N2O — CID 99964612

IUPAC3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C19H16N2O/c1-14-6-8-15(9-7-14)13-21-11-10-17(20-21)19-12-16-4-2-3-5-18(16)22-19/h2-12H,13H2,1H3
InChIKeyDMTJLPYBOUWHFK-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.65
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole

3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole (PubChem CID 99964612) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole
PubChem CID99964612
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole
SMILESCc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C19H16N2O/c1-14-6-8-15(9-7-14)13-21-11-10-17(20-21)19-12-16-4-2-3-5-18(16)22-19/h2-12H,13H2,1H3
InChIKeyDMTJLPYBOUWHFK-UHFFFAOYSA-N
XLogP4.65
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-2-yl)-1-[(3-bromophenyl)methyl]pyrazole
CID 99964624
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90119948
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
2-(1-benzofuran-2-yl)-6-chloroimidazo[1,2-a]pyridine
CID 3614378
4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]benzoic acid
CID 58156638
5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one
CID 5001076
2-(1-benzofuran-2-yl)-6-methoxyimidazo[1,2-a]pyridine
CID 25014929
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
5-(1-benzofuran-2-yl)-1-methyltetrazole
CID 57215043
ethyl 7-(1-benzofuran-2-yl)-1-benzyl-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 2380946
2-(1-benzofuran-2-yl)-8-methoxyimidazo[1,2-a]pyridine
CID 115404746
2-[3,6-bis(1-benzofuran-2-yl)-8-(4-methylphenyl)pyren-1-yl]-1-benzofuran
CID 145470072

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole?
The IUPAC name of 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole (CID 99964612) is 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole?
The canonical SMILES for 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole is Cc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole?
The InChIKey is DMTJLPYBOUWHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-6-8-15(9-7-14)13-21-11-10-17(20-21)19-12-16-4-2-3-5-18(16)22-19/h2-12H,13H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole?
3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole has a molecular weight of 288.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 99964612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).