N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

C13H20BrN5O2S — CID 44822188

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCCn1ncc(Br)c1CN(C)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H20BrN5O2S/c1-6-19-12(11(14)7-15-19)8-17(4)22(20,21)13-9(2)16-18(5)10(13)3/h7H,6,8H2,1-5H3
InChIKeyHIEGAHXPNXUUCZ-UHFFFAOYSA-N
MW390.31 g/mol
LogP1.84
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (PubChem CID 44822188) has the molecular formula C13H20BrN5O2S and a molecular weight of 390.31 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
PubChem CID44822188
Molecular FormulaC13H20BrN5O2S
Molecular Weight390.31 g/mol
Exact Mass389.05
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
SMILESCCn1ncc(Br)c1CN(C)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C13H20BrN5O2S/c1-6-19-12(11(14)7-15-19)8-17(4)22(20,21)13-9(2)16-18(5)10(13)3/h7H,6,8H2,1-5H3
InChIKeyHIEGAHXPNXUUCZ-UHFFFAOYSA-N
XLogP1.84
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide (CID 44822188) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is CCn1ncc(Br)c1CN(C)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
The InChIKey is HIEGAHXPNXUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O2S/c1-6-19-12(11(14)7-15-19)8-17(4)22(20,21)13-9(2)16-18(5)10(13)3/h7H,6,8H2,1-5H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide has a molecular weight of 390.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide is sourced from PubChem (CID 44822188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).