N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C21H20N4O3S — CID 28536639

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H20N4O3S/c1-15-21(16(2)28-24-15)29(26,27)22-13-18-14-25(19-11-7-4-8-12-19)23-20(18)17-9-5-3-6-10-17/h3-12,14,22H,13H2,1-2H3
InChIKeyCEYQPZNYZQMWTR-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.62
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 28536639) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID28536639
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H20N4O3S/c1-15-21(16(2)28-24-15)29(26,27)22-13-18-14-25(19-11-7-4-8-12-19)23-20(18)17-9-5-3-6-10-17/h3-12,14,22H,13H2,1-2H3
InChIKeyCEYQPZNYZQMWTR-UHFFFAOYSA-N
XLogP3.62
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17374702
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
3,5-dimethyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,2-oxazole-4-sulfonamide
CID 110730460
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 22203897
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443
3,5-dimethyl-N-[(6-phenylpyrimidin-4-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 122262152
3,5-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 24556296
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 17490159
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 28536639) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CEYQPZNYZQMWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-15-21(16(2)28-24-15)29(26,27)22-13-18-14-25(19-11-7-4-8-12-19)23-20(18)17-9-5-3-6-10-17/h3-12,14,22H,13H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 408.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 28536639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).