4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole

C32H28N4O3S — CID 71844173

IUPAC4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
SMILESCOc1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)C(c2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C32H28N4O3S/c1-23-17-19-26(20-18-23)40(37,38)36-30(21-29(33-36)27-15-9-10-16-31(27)39-2)28-22-35(25-13-7-4-8-14-25)34-32(28)24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3
InChIKeyMAAJUYNEYASJKX-UHFFFAOYSA-N
MW548.67 g/mol
LogP6.40
Rot. Bonds7

About 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole

4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole (PubChem CID 71844173) has the molecular formula C32H28N4O3S and a molecular weight of 548.67 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
PubChem CID71844173
Molecular FormulaC32H28N4O3S
Molecular Weight548.67 g/mol
Exact Mass548.19
IUPAC Name4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
SMILESCOc1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)C(c2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C32H28N4O3S/c1-23-17-19-26(20-18-23)40(37,38)36-30(21-29(33-36)27-15-9-10-16-31(27)39-2)28-22-35(25-13-7-4-8-14-25)34-32(28)24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3
InChIKeyMAAJUYNEYASJKX-UHFFFAOYSA-N
XLogP6.40
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 119038156
4-[(3S)-2-(benzenesulfonyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 98387660
4-[2-(benzenesulfonyl)-5-(2,4-dimethoxyphenyl)-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 71844160
4-[(3S)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole
CID 40989243
4-[5-(3,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 155812867
3-(4-methoxyphenyl)-4-[(3S)-2-methylsulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
CID 40920525
2-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
CID 136718223
2-[3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
CID 135656488
2-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenol
CID 136718224
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41038498
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
3,5-bis(2-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 122155670

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole?
The IUPAC name of 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole (CID 71844173) is 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole?
The canonical SMILES for 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole is COc1ccccc1C1=NN(S(=O)(=O)c2ccc(C)cc2)C(c2cn(-c3ccccc3)nc2-c2ccccc2)C1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole?
The InChIKey is MAAJUYNEYASJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O3S/c1-23-17-19-26(20-18-23)40(37,38)36-30(21-29(33-36)27-15-9-10-16-31(27)39-2)28-22-35(25-13-7-4-8-14-25)34-32(28)24-11-5-3-6-12-24/h3-20,22,30H,21H2,1-2H3.
What are the key properties of 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole?
4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole has a molecular weight of 548.67 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1,3-diphenylpyrazole is sourced from PubChem (CID 71844173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).