[7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol

C21H20ClN3O4S — CID 143421205

IUPAC[7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol
SMILESCOc1ccc(S(=O)(=O)C2=C(CO)Nc3cc(C)nn3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-13-11-19-23-18(12-26)21(30(27,28)17-9-7-16(29-2)8-10-17)20(25(19)24-13)14-3-5-15(22)6-4-14/h3-11,20,23,26H,12H2,1-2H3
InChIKeySAOVFLXIVWENRR-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.55
Rot. Bonds5

About [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol

[7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol (PubChem CID 143421205) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol
PubChem CID143421205
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name[7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol
SMILESCOc1ccc(S(=O)(=O)C2=C(CO)Nc3cc(C)nn3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-13-11-19-23-18(12-26)21(30(27,28)17-9-7-16(29-2)8-10-17)20(25(19)24-13)14-3-5-15(22)6-4-14/h3-11,20,23,26H,12H2,1-2H3
InChIKeySAOVFLXIVWENRR-UHFFFAOYSA-N
XLogP3.55
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135463512
7-(3,4-dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135463504
7-(4-chlorophenyl)-5-methyl-6-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135463458
9-(4-methoxyphenyl)-2-methyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-8-one
CID 137234417
1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
CID 57287286
(7R)-N-(4-chlorophenyl)-2,5-dimethyl-7-(4-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136798128
3-(4-chlorophenyl)sulfonyl-4-hydroxy-2-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 53017845
[(1R,2R,3S)-1-amino-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124748757
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
N-[(7R)-5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 136745572
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233

Frequently Asked Questions

What is the IUPAC name of [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol?
The IUPAC name of [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol (CID 143421205) is [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol.
What is the SMILES notation for [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol?
The canonical SMILES for [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol is COc1ccc(S(=O)(=O)C2=C(CO)Nc3cc(C)nn3C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol?
The InChIKey is SAOVFLXIVWENRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-13-11-19-23-18(12-26)21(30(27,28)17-9-7-16(29-2)8-10-17)20(25(19)24-13)14-3-5-15(22)6-4-14/h3-11,20,23,26H,12H2,1-2H3.
What are the key properties of [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol?
[7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol has a molecular weight of 445.93 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-chlorophenyl)-6-(4-methoxyphenyl)sulfonyl-2-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]methanol is sourced from PubChem (CID 143421205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).