N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide

C19H27N3O4S — CID 27638160

IUPACN,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C19H27N3O4S/c1-7-21(8-2)27(24,25)18-14(5)20-22(15(18)6)19(23)16-9-11-17(12-10-16)26-13(3)4/h9-13H,7-8H2,1-6H3
InChIKeyGNUMEUXZQDIBRW-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.01
Rot. Bonds7

About N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide

N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide (PubChem CID 27638160) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide
PubChem CID27638160
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C19H27N3O4S/c1-7-21(8-2)27(24,25)18-14(5)20-22(15(18)6)19(23)16-9-11-17(12-10-16)26-13(3)4/h9-13H,7-8H2,1-6H3
InChIKeyGNUMEUXZQDIBRW-UHFFFAOYSA-N
XLogP3.01
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromobenzoyl)-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 27638183
1-(2-bromobenzoyl)-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 27638214
N,N-diethyl-3,5-dimethyl-1-(3-piperidin-1-ylsulfonylbenzoyl)pyrazole-4-sulfonamide
CID 22579037
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
1-[2-(2,4-dimethylphenoxy)acetyl]-N,N-diethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 16896663
(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-(4-methoxyphenyl)methanone
CID 27452968
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952219
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 79061219
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
1-[4-(4-propan-2-yloxybenzoyl)piperazin-1-yl]butan-1-one
CID 110800028

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide?
The IUPAC name of N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide (CID 27638160) is N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide?
The canonical SMILES for N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1c(C)nn(C(=O)c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide?
The InChIKey is GNUMEUXZQDIBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-7-21(8-2)27(24,25)18-14(5)20-22(15(18)6)19(23)16-9-11-17(12-10-16)26-13(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide?
N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-dimethyl-1-(4-propan-2-yloxybenzoyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 27638160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).