1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole

C22H21N3O — CID 71713576

IUPAC1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole
SMILESCOc1ccc(-n2nc(-c3cccc(C)c3)cc2-c2cccn2C)cc1
InChIInChI=1S/C22H21N3O/c1-16-6-4-7-17(14-16)20-15-22(21-8-5-13-24(21)2)25(23-20)18-9-11-19(26-3)12-10-18/h4-15H,1-3H3
InChIKeyVLVOPUZUWGFCRT-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.86
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole

1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole (PubChem CID 71713576) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole
PubChem CID71713576
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole
SMILESCOc1ccc(-n2nc(-c3cccc(C)c3)cc2-c2cccn2C)cc1
InChIInChI=1S/C22H21N3O/c1-16-6-4-7-17(14-16)20-15-22(21-8-5-13-24(21)2)25(23-20)18-9-11-19(26-3)12-10-18/h4-15H,1-3H3
InChIKeyVLVOPUZUWGFCRT-UHFFFAOYSA-N
XLogP4.86
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole (CID 71713576) is 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole is COc1ccc(-n2nc(-c3cccc(C)c3)cc2-c2cccn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole?
The InChIKey is VLVOPUZUWGFCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-6-4-7-17(14-16)20-15-22(21-8-5-13-24(21)2)25(23-20)18-9-11-19(26-3)12-10-18/h4-15H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole?
1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole has a molecular weight of 343.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3-methylphenyl)-5-(1-methylpyrrol-2-yl)pyrazole is sourced from PubChem (CID 71713576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).