1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide

C20H19N5O3S — CID 71853041

IUPAC1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)n[nH]1
InChIInChI=1S/C20H19N5O3S/c1-15-11-20(23-22-15)28-18-9-7-17(8-10-18)24-29(26,27)19-12-21-25(14-19)13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,22,23)
InChIKeyZYMGSZJWMWZHFN-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.56
Rot. Bonds7

About 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide

1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide (PubChem CID 71853041) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide
PubChem CID71853041
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)n[nH]1
InChIInChI=1S/C20H19N5O3S/c1-15-11-20(23-22-15)28-18-9-7-17(8-10-18)24-29(26,27)19-12-21-25(14-19)13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,22,23)
InChIKeyZYMGSZJWMWZHFN-UHFFFAOYSA-N
XLogP3.56
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 99716304
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309298
1-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pyrazole-4-sulfonamide
CID 86870409
ethyl 5-acetyl-2-[(1-benzylpyrazol-4-yl)sulfonylamino]-1,3-thiazole-4-carboxylate
CID 100667915
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-(1-benzylpyrazol-4-yl)sulfonyl-2-methylfuran-3-carboxamide
CID 71978749
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide (CID 71853041) is 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)n[nH]1.
What is the InChIKey of 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide?
The InChIKey is ZYMGSZJWMWZHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-15-11-20(23-22-15)28-18-9-7-17(8-10-18)24-29(26,27)19-12-21-25(14-19)13-16-5-3-2-4-6-16/h2-12,14,24H,13H2,1H3,(H,22,23).
What are the key properties of 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide?
1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71853041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).