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

C14H23N5O2S — CID 22203950

IUPAC1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cnn(CC)c2C)c(C)n1
InChIInChI=1S/C14H23N5O2S/c1-6-18-10-13(11(3)16-18)9-17(5)22(20,21)14-8-15-19(7-2)12(14)4/h8,10H,6-7,9H2,1-5H3
InChIKeyHLHMNBUARQNBDQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.56
Rot. Bonds6

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

1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22203950) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
PubChem CID22203950
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2cnn(CC)c2C)c(C)n1
InChIInChI=1S/C14H23N5O2S/c1-6-18-10-13(11(3)16-18)9-17(5)22(20,21)14-8-15-19(7-2)12(14)4/h8,10H,6-7,9H2,1-5H3
InChIKeyHLHMNBUARQNBDQ-UHFFFAOYSA-N
XLogP1.56
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide (CID 22203950) is 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2cnn(CC)c2C)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is HLHMNBUARQNBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-6-18-10-13(11(3)16-18)9-17(5)22(20,21)14-8-15-19(7-2)12(14)4/h8,10H,6-7,9H2,1-5H3.
What are the key properties of 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide?
1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22203950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).