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

C18H23N5O2S — CID 29089857

IUPAC1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cn1
InChIInChI=1S/C18H23N5O2S/c1-3-22-15-18(13-19-22)26(24,25)23(14-17-10-11-21(2)20-17)12-9-16-7-5-4-6-8-16/h4-8,10-11,13,15H,3,9,12,14H2,1-2H3
InChIKeyGKGOZQAXFGYFJZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.07
Rot. Bonds8

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

1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 29089857) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID29089857
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cn1
InChIInChI=1S/C18H23N5O2S/c1-3-22-15-18(13-19-22)26(24,25)23(14-17-10-11-21(2)20-17)12-9-16-7-5-4-6-8-16/h4-8,10-11,13,15H,3,9,12,14H2,1-2H3
InChIKeyGKGOZQAXFGYFJZ-UHFFFAOYSA-N
XLogP2.07
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide (CID 29089857) is 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCc2ccccc2)Cc2ccn(C)n2)cn1.
What is the InChIKey of 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is GKGOZQAXFGYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-3-22-15-18(13-19-22)26(24,25)23(14-17-10-11-21(2)20-17)12-9-16-7-5-4-6-8-16/h4-8,10-11,13,15H,3,9,12,14H2,1-2H3.
What are the key properties of 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 29089857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).