1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide

C20H27N5O2S — CID 29096121

IUPAC1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)c(C)n1
InChIInChI=1S/C20H27N5O2S/c1-4-23-16-20(17(3)22-23)28(26,27)24(14-12-18-9-7-6-8-10-18)15-19-11-13-21-25(19)5-2/h6-11,13,16H,4-5,12,14-15H2,1-3H3
InChIKeyJXJRISYTEDEGGU-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.86
Rot. Bonds9

About 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide

1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 29096121) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID29096121
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)c(C)n1
InChIInChI=1S/C20H27N5O2S/c1-4-23-16-20(17(3)22-23)28(26,27)24(14-12-18-9-7-6-8-10-18)15-19-11-13-21-25(19)5-2/h6-11,13,16H,4-5,12,14-15H2,1-3H3
InChIKeyJXJRISYTEDEGGU-UHFFFAOYSA-N
XLogP2.86
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
CID 29090004
5-bromo-N-[(2-ethylpyrazol-3-yl)methyl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 29092270
1-benzyl-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-sulfonamide
CID 42282856
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 29089998
1-(difluoromethyl)-N-[2-(4-fluorophenyl)ethyl]-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 29089869
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2,4-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 171315030
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 29095255
4-bromo-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 29089808
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 29089968
5-[(2-ethylpyrazol-3-yl)methyl-(2-phenylethyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494352
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 35520918

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide (CID 29096121) is 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccnn2CC)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is JXJRISYTEDEGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-4-23-16-20(17(3)22-23)28(26,27)24(14-12-18-9-7-6-8-10-18)15-19-11-13-21-25(19)5-2/h6-11,13,16H,4-5,12,14-15H2,1-3H3.
What are the key properties of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide?
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 401.54 g/mol, XLogP of 2.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 29096121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).