N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide

C12H19N5O2S — CID 22206025

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cc(C)n(C)n2)c(C)n1
InChIInChI=1S/C12H19N5O2S/c1-5-17-8-12(10(3)14-17)20(18,19)13-7-11-6-9(2)16(4)15-11/h6,8,13H,5,7H2,1-4H3
InChIKeyLNGALYQTAPMNLP-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.73
Rot. Bonds5

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

N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 22206025) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID22206025
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2cc(C)n(C)n2)c(C)n1
InChIInChI=1S/C12H19N5O2S/c1-5-17-8-12(10(3)14-17)20(18,19)13-7-11-6-9(2)16(4)15-11/h6,8,13H,5,7H2,1-4H3
InChIKeyLNGALYQTAPMNLP-UHFFFAOYSA-N
XLogP0.73
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrazole-4-sulfonamide
CID 22209538
1-ethyl-N,3-dimethylpyrazole-4-sulfonamide
CID 19684304
1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681806
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206016
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209589
1-ethyl-3-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 19682091
1-ethyl-3-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 22773737
2,4,5-trichloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22209591
1-ethyl-3-methyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 19683579
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
ethane;1-ethyl-3-methyl-4-methylsulfonylpyrazole
CID 177232884
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19328845

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 22206025) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2cc(C)n(C)n2)c(C)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is LNGALYQTAPMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-5-17-8-12(10(3)14-17)20(18,19)13-7-11-6-9(2)16(4)15-11/h6,8,13H,5,7H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22206025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).