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

C12H18BrN5O2S — CID 29089791

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)c(C)n1
InChIInChI=1S/C12H18BrN5O2S/c1-5-18-8-12(9(2)15-18)21(19,20)16(3)7-11-10(13)6-14-17(11)4/h6,8H,5,7H2,1-4H3
InChIKeyYIJOUBHGWNQOKL-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.53
Rot. Bonds5

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

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide (PubChem CID 29089791) has the molecular formula C12H18BrN5O2S and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
PubChem CID29089791
Molecular FormulaC12H18BrN5O2S
Molecular Weight376.28 g/mol
Exact Mass375.04
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)c(C)n1
InChIInChI=1S/C12H18BrN5O2S/c1-5-18-8-12(9(2)15-18)21(19,20)16(3)7-11-10(13)6-14-17(11)4/h6,8H,5,7H2,1-4H3
InChIKeyYIJOUBHGWNQOKL-UHFFFAOYSA-N
XLogP1.53
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.53
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-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide (CID 29089791) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)Cc2c(Br)cnn2C)c(C)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is YIJOUBHGWNQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5O2S/c1-5-18-8-12(9(2)15-18)21(19,20)16(3)7-11-10(13)6-14-17(11)4/h6,8H,5,7H2,1-4H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 376.28 g/mol, XLogP of 1.53, 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-methylpyrazol-5-yl)methyl]-1-ethyl-N,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).