N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C20H25N5O2S — CID 171912757

IUPACN-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2cnn(C)c2)C2CC2)cc1-c1ccnn1C
InChIInChI=1S/C20H25N5O2S/c1-14-9-15(2)20(10-18(14)19-7-8-21-24(19)4)28(26,27)25(17-5-6-17)13-16-11-22-23(3)12-16/h7-12,17H,5-6,13H2,1-4H3
InChIKeyNOTYFQWGNJEBKY-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.79
Rot. Bonds6

About N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 171912757) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID171912757
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(Cc2cnn(C)c2)C2CC2)cc1-c1ccnn1C
InChIInChI=1S/C20H25N5O2S/c1-14-9-15(2)20(10-18(14)19-7-8-21-24(19)4)28(26,27)25(17-5-6-17)13-16-11-22-23(3)12-16/h7-12,17H,5-6,13H2,1-4H3
InChIKeyNOTYFQWGNJEBKY-UHFFFAOYSA-N
XLogP2.79
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]phenyl]acetamide
CID 166288275
4-chloro-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 39623413
N-[(3,4-difluorophenyl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]cyclopropanamine
CID 74244749
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 39794990
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 134002545
3,4-difluoro-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 47062356
cis-(1S,2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 124725633
N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 74232126
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
CID 43685075
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 126780884
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 47812984
N-cyclopropyl-2-methyl-5-nitro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 51055462

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 171912757) is N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(Cc2cnn(C)c2)C2CC2)cc1-c1ccnn1C.
What is the InChIKey of N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is NOTYFQWGNJEBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14-9-15(2)20(10-18(14)19-7-8-21-24(19)4)28(26,27)25(17-5-6-17)13-16-11-22-23(3)12-16/h7-12,17H,5-6,13H2,1-4H3.
What are the key properties of N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,4-dimethyl-5-(2-methylpyrazol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 171912757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).