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

C14H23N5O2S — CID 29089522

IUPACN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C14H23N5O2S/c1-6-18(22(20,21)13-8-15-17(5)9-13)10-14-11(3)16-19(7-2)12(14)4/h8-9H,6-7,10H2,1-5H3
InChIKeyYEMYHGZJOMJPEQ-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.46
Rot. Bonds6

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

N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 29089522) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID29089522
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC NameN-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C14H23N5O2S/c1-6-18(22(20,21)13-8-15-17(5)9-13)10-14-11(3)16-19(7-2)12(14)4/h8-9H,6-7,10H2,1-5H3
InChIKeyYEMYHGZJOMJPEQ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide (CID 29089522) is N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is YEMYHGZJOMJPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-6-18(22(20,21)13-8-15-17(5)9-13)10-14-11(3)16-19(7-2)12(14)4/h8-9H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide?
N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).