1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole

C15H16N4O3S — CID 99843277

IUPAC1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole
SMILESCOc1ccc(-n2ccnc2S(=O)(=O)Cc2ccnn2C)cc1
InChIInChI=1S/C15H16N4O3S/c1-18-13(7-8-17-18)11-23(20,21)15-16-9-10-19(15)12-3-5-14(22-2)6-4-12/h3-10H,11H2,1-2H3
InChIKeyMJAQGTMWXIIDAI-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole

1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole (PubChem CID 99843277) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole
PubChem CID99843277
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole
SMILESCOc1ccc(-n2ccnc2S(=O)(=O)Cc2ccnn2C)cc1
InChIInChI=1S/C15H16N4O3S/c1-18-13(7-8-17-18)11-23(20,21)15-16-9-10-19(15)12-3-5-14(22-2)6-4-12/h3-10H,11H2,1-2H3
InChIKeyMJAQGTMWXIIDAI-UHFFFAOYSA-N
XLogP1.59
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole (CID 99843277) is 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole is COc1ccc(-n2ccnc2S(=O)(=O)Cc2ccnn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole?
The InChIKey is MJAQGTMWXIIDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-18-13(7-8-17-18)11-23(20,21)15-16-9-10-19(15)12-3-5-14(22-2)6-4-12/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole?
1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole has a molecular weight of 332.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(2-methylpyrazol-3-yl)methylsulfonyl]imidazole is sourced from PubChem (CID 99843277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).