1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide

C13H22N6O2S — CID 71868940

IUPAC1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide
SMILESCC(C)c1cc(N(C)CCNS(=O)(=O)c2cnn(C)c2)n[nH]1
InChIInChI=1S/C13H22N6O2S/c1-10(2)12-7-13(17-16-12)18(3)6-5-15-22(20,21)11-8-14-19(4)9-11/h7-10,15H,5-6H2,1-4H3,(H,16,17)
InChIKeySWOUEXGPVIQDEG-UHFFFAOYSA-N
MW326.43 g/mol
LogP0.68
Rot. Bonds7

About 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide

1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide (PubChem CID 71868940) has the molecular formula C13H22N6O2S and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide
PubChem CID71868940
Molecular FormulaC13H22N6O2S
Molecular Weight326.43 g/mol
Exact Mass326.15
IUPAC Name1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide
SMILESCC(C)c1cc(N(C)CCNS(=O)(=O)c2cnn(C)c2)n[nH]1
InChIInChI=1S/C13H22N6O2S/c1-10(2)12-7-13(17-16-12)18(3)6-5-15-22(20,21)11-8-14-19(4)9-11/h7-10,15H,5-6H2,1-4H3,(H,16,17)
InChIKeySWOUEXGPVIQDEG-UHFFFAOYSA-N
XLogP0.68
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide (CID 71868940) is 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide is CC(C)c1cc(N(C)CCNS(=O)(=O)c2cnn(C)c2)n[nH]1.
What is the InChIKey of 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide?
The InChIKey is SWOUEXGPVIQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2S/c1-10(2)12-7-13(17-16-12)18(3)6-5-15-22(20,21)11-8-14-19(4)9-11/h7-10,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide has a molecular weight of 326.43 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71868940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).