N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide

C20H28N4O3S — CID 53139381

IUPACN,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C20H28N4O3S/c1-15-19(28(26,27)22(3)4)16(2)24(21-15)14-17-8-10-18(11-9-17)20(25)23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3
InChIKeyMZMVRLYZYJCEKQ-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.42
Rot. Bonds5

About N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide

N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide (PubChem CID 53139381) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide
PubChem CID53139381
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide
SMILESCc1nn(Cc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1S(=O)(=O)N(C)C
InChIInChI=1S/C20H28N4O3S/c1-15-19(28(26,27)22(3)4)16(2)24(21-15)14-17-8-10-18(11-9-17)20(25)23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3
InChIKeyMZMVRLYZYJCEKQ-UHFFFAOYSA-N
XLogP2.42
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139373
1-[(4-cyanophenyl)methyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
CID 2558397
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile
CID 35300920
N,N,3,5-tetramethyl-1-(pyrrolidin-1-ylmethyl)pyrazole-4-sulfonamide
CID 9193193
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-butan-2-ylbenzamide
CID 53139570
[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35323592
4-[[4-(azepan-1-ylsulfonyl)-3,5-dimethylpyrazol-1-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 53139579
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 26500757
2-[4-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31428172
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 53139433

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide (CID 53139381) is N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide is Cc1nn(Cc2ccc(C(=O)N3CCCCC3)cc2)c(C)c1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide?
The InChIKey is MZMVRLYZYJCEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-15-19(28(26,27)22(3)4)16(2)24(21-15)14-17-8-10-18(11-9-17)20(25)23-12-6-5-7-13-23/h8-11H,5-7,12-14H2,1-4H3.
What are the key properties of N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide?
N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide has a molecular weight of 404.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 53139381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).