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

C18H23N5O2S — CID 29089490

IUPAC1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1
InChIInChI=1S/C18H23N5O2S/c1-15-18(14-22(3)19-15)26(24,25)23(13-17-10-11-21(2)20-17)12-9-16-7-5-4-6-8-16/h4-8,10-11,14H,9,12-13H2,1-3H3
InChIKeyCHACEKVZQBVIED-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.90
Rot. Bonds7

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

1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 29089490) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID29089490
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1
InChIInChI=1S/C18H23N5O2S/c1-15-18(14-22(3)19-15)26(24,25)23(13-17-10-11-21(2)20-17)12-9-16-7-5-4-6-8-16/h4-8,10-11,14H,9,12-13H2,1-3H3
InChIKeyCHACEKVZQBVIED-UHFFFAOYSA-N
XLogP1.90
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide (CID 29089490) is 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)N(CCc1ccccc1)Cc1ccn(C)n1.
What is the InChIKey of 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is CHACEKVZQBVIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-15-18(14-22(3)19-15)26(24,25)23(13-17-10-11-21(2)20-17)12-9-16-7-5-4-6-8-16/h4-8,10-11,14H,9,12-13H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-N-(2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 29089490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).