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

C13H20BrN5O2S — CID 29095255

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)c(C)n1
InChIInChI=1S/C13H20BrN5O2S/c1-5-18-9-13(10(3)16-18)22(20,21)17(4)8-12-11(14)7-15-19(12)6-2/h7,9H,5-6,8H2,1-4H3
InChIKeyOYVUOBZFMGZZJE-UHFFFAOYSA-N
MW390.31 g/mol
LogP2.01
Rot. Bonds6

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

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide (PubChem CID 29095255) 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]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
PubChem CID29095255
Molecular FormulaC13H20BrN5O2S
Molecular Weight390.31 g/mol
Exact Mass389.05
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)c(C)n1
InChIInChI=1S/C13H20BrN5O2S/c1-5-18-9-13(10(3)16-18)22(20,21)17(4)8-12-11(14)7-15-19(12)6-2/h7,9H,5-6,8H2,1-4H3
InChIKeyOYVUOBZFMGZZJE-UHFFFAOYSA-N
XLogP2.01
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.01
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]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide (CID 29095255) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2CC)c(C)n1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is OYVUOBZFMGZZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN5O2S/c1-5-18-9-13(10(3)16-18)22(20,21)17(4)8-12-11(14)7-15-19(12)6-2/h7,9H,5-6,8H2,1-4H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 390.31 g/mol, XLogP of 2.01, 6 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]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29095255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).