N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C13H21N5O2S — CID 22771313

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C13H21N5O2S/c1-6-18-10(3)12(7-14-18)8-15-21(19,20)13-9(2)16-17(5)11(13)4/h7,15H,6,8H2,1-5H3
InChIKeyMIAZEVVENGBHON-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.04
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22771313) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22771313
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCn1ncc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C13H21N5O2S/c1-6-18-10(3)12(7-14-18)8-15-21(19,20)13-9(2)16-17(5)11(13)4/h7,15H,6,8H2,1-5H3
InChIKeyMIAZEVVENGBHON-UHFFFAOYSA-N
XLogP1.04
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
N-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154837399
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 154764538
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 71688206
1,3,5-trimethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-sulfonamide
CID 90614074
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
N-(2-ethylbutyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 115613419
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22771286

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22771313) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is CCn1ncc(CNS(=O)(=O)c2c(C)nn(C)c2C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is MIAZEVVENGBHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-6-18-10(3)12(7-14-18)8-15-21(19,20)13-9(2)16-17(5)11(13)4/h7,15H,6,8H2,1-5H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22771313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).