1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide

C24H29N3O4S — CID 171783939

IUPAC1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(CC3CCC3)n2)cc1
InChIInChI=1S/C24H29N3O4S/c1-30-22-10-6-20(7-11-22)17-27(18-21-8-12-23(31-2)13-9-21)32(28,29)24-14-15-26(25-24)16-19-4-3-5-19/h6-15,19H,3-5,16-18H2,1-2H3
InChIKeyZOJZLRPXDMTMJG-UHFFFAOYSA-N
MW455.58 g/mol
LogP4.09
Rot. Bonds10

About 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide

1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide (PubChem CID 171783939) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
PubChem CID171783939
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(CC3CCC3)n2)cc1
InChIInChI=1S/C24H29N3O4S/c1-30-22-10-6-20(7-11-22)17-27(18-21-8-12-23(31-2)13-9-21)32(28,29)24-14-15-26(25-24)16-19-4-3-5-19/h6-15,19H,3-5,16-18H2,1-2H3
InChIKeyZOJZLRPXDMTMJG-UHFFFAOYSA-N
XLogP4.09
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-bis[(4-methoxyphenyl)methyl]-1-[(2R)-2-methoxypropyl]pyrazole-3-sulfonamide
CID 171783920
N,N-bis[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide;1-(2-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 159654114
1-(2-hydroxybutyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 155166174
1-ethyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide;1-ethyl-5-formyl-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide
CID 161318080
sodium;N,N-bis[(4-methoxyphenyl)methyl]-1-(2-methyl-1-oxopropan-2-yl)pyrazole-3-sulfonamide;hydroxide
CID 165154248
2-[3-[bis[(4-methoxyphenyl)methyl]sulfamoyl]pyrazol-1-yl]-N,N,2-trimethylpropanamide
CID 137499468
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
N,N-bis[(4-methoxyphenyl)methyl]-1-(oxetan-3-yl)pyrazole-3-sulfonamide;N,N-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 157243983
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
2-(4-methoxyphenyl)-N,N-bis[(4-methoxyphenyl)methyl]tetrazole-5-sulfonamide
CID 175653415
5-[1-(azetidin-1-yl)ethyl]-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide;5-(1-hydroxyethyl)-N,N-bis[(4-methoxyphenyl)methyl]-1-methylpyrazole-3-sulfonamide
CID 158305964
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide (CID 171783939) is 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccn(CC3CCC3)n2)cc1.
What is the InChIKey of 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
The InChIKey is ZOJZLRPXDMTMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-30-22-10-6-20(7-11-22)17-27(18-21-8-12-23(31-2)13-9-21)32(28,29)24-14-15-26(25-24)16-19-4-3-5-19/h6-15,19H,3-5,16-18H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide?
1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide has a molecular weight of 455.58 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 171783939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).