N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide

C18H23N5O2S — CID 22771454

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H23N5O2S/c1-13-16(11-21(4)19-13)12-22(5)26(24,25)18-14(2)20-23(15(18)3)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3
InChIKeyAZGOJTDGEYNZPL-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.35
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 22771454) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID22771454
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1CN(C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H23N5O2S/c1-13-16(11-21(4)19-13)12-22(5)26(24,25)18-14(2)20-23(15(18)3)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3
InChIKeyAZGOJTDGEYNZPL-UHFFFAOYSA-N
XLogP2.35
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide (CID 22771454) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(C)cc1CN(C)S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is AZGOJTDGEYNZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-13-16(11-21(4)19-13)12-22(5)26(24,25)18-14(2)20-23(15(18)3)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 22771454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).