1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine

C26H26N4O3S — CID 42285593

IUPAC1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C26H26N4O3S/c1-33-24-15-9-8-14-23(24)28-16-18-29(19-17-28)34(31,32)25-20-30(22-12-6-3-7-13-22)27-26(25)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3
InChIKeyITNBGKPBTXFZKT-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.06
Rot. Bonds6

About 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine

1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine (PubChem CID 42285593) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
PubChem CID42285593
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C26H26N4O3S/c1-33-24-15-9-8-14-23(24)28-16-18-29(19-17-28)34(31,32)25-20-30(22-12-6-3-7-13-22)27-26(25)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3
InChIKeyITNBGKPBTXFZKT-UHFFFAOYSA-N
XLogP4.06
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine
CID 42285551
1,3-diphenyl-4-pyrrolidin-1-ylsulfonylpyrazole
CID 42348986
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42349000
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 91669754
1-(2-methoxy-4-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1143543
1-(4-fluoro-2-methoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1085530
4-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid
CID 2456144
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 42284613
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346
1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 23932557
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine (CID 42285593) is 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is ITNBGKPBTXFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-33-24-15-9-8-14-23(24)28-16-18-29(19-17-28)34(31,32)25-20-30(22-12-6-3-7-13-22)27-26(25)21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3.
What are the key properties of 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine?
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 474.59 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 42285593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).