[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C22H24N4O4S — CID 20865014

IUPAC[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]n1
InChIInChI=1S/C22H24N4O4S/c1-16-7-9-17(10-8-16)31(28,29)26-13-11-25(12-14-26)22(27)20-15-19(23-24-20)18-5-3-4-6-21(18)30-2/h3-10,15H,11-14H2,1-2H3,(H,23,24)
InChIKeyFMZDFCXQOCGGJK-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.54
Rot. Bonds5

About [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 20865014) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID20865014
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]n1
InChIInChI=1S/C22H24N4O4S/c1-16-7-9-17(10-8-16)31(28,29)26-13-11-25(12-14-26)22(27)20-15-19(23-24-20)18-5-3-4-6-21(18)30-2/h3-10,15H,11-14H2,1-2H3,(H,23,24)
InChIKeyFMZDFCXQOCGGJK-UHFFFAOYSA-N
XLogP2.54
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Hydroxyphenyl)-N-[4-(piperidine-1-sulfonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 2026662
(5E)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 666379
5-(2-hydroxy-5-methylphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1836353
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 149810461
4-[5-(4-Ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155530971
5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155542501
4-[5-(4-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155553248
5-(2-hydroxyphenyl)-N-(4-methoxybenzyl)-1H-pyrazole-3-carboxamide
CID 666046
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1848765
5-(2-hydroxy-4-methylphenyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1954158
5-(2-hydroxyphenyl)-N-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide
CID 4891910
3-(2-hydroxy-4-methylphenyl)-N-{4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl}-1H-pyrazole-5-carboxamide
CID 4893331

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 20865014) is [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccccc1-c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[nH]n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FMZDFCXQOCGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-16-7-9-17(10-8-16)31(28,29)26-13-11-25(12-14-26)22(27)20-15-19(23-24-20)18-5-3-4-6-21(18)30-2/h3-10,15H,11-14H2,1-2H3,(H,23,24).
What are the key properties of [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 440.53 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 20865014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).