1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine

C22H20N4O3S — CID 121238392

IUPAC1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
SMILESCOc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-29-19-12-14-20(15-13-19)30(27,28)26-22(24-18-10-6-3-7-11-18)16-21(25-26)23-17-8-4-2-5-9-17/h2-16,24H,1H3,(H,23,25)
InChIKeyBFVFAKRRGPAUMD-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.62
Rot. Bonds7

About 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine

1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine (PubChem CID 121238392) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
PubChem CID121238392
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
SMILESCOc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-29-19-12-14-20(15-13-19)30(27,28)26-22(24-18-10-6-3-7-11-18)16-21(25-26)23-17-8-4-2-5-9-17/h2-16,24H,1H3,(H,23,25)
InChIKeyBFVFAKRRGPAUMD-UHFFFAOYSA-N
XLogP4.62
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-phenylpyridazin-3-amine
CID 44827467
1-(4-methoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 871651
1-(4-methoxyphenyl)sulfonyl-3-phenylpyrazol-5-amine
CID 20873558
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-N,5-N-diphenylpyrazole-3,5-diamine
CID 121238468
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
1-(benzenesulfonyl)-3-(4-methoxyphenyl)pyrazol-5-amine
CID 20873615
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
1-(4-methoxyphenyl)-N-phenylpyrazol-3-amine
CID 21272312
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
CID 102581194
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine (CID 121238392) is 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine is COc1ccc(S(=O)(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine?
The InChIKey is BFVFAKRRGPAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-29-19-12-14-20(15-13-19)30(27,28)26-22(24-18-10-6-3-7-11-18)16-21(25-26)23-17-8-4-2-5-9-17/h2-16,24H,1H3,(H,23,25).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine?
1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine has a molecular weight of 420.49 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine is sourced from PubChem (CID 121238392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).