N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide

C9H17N3O3S — CID 47268214

IUPACN-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O3S/c1-4-12(8(2)7-15-3)16(13,14)9-5-10-11-6-9/h5-6,8H,4,7H2,1-3H3,(H,10,11)
InChIKeyBQBLHUZJJIXYGZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.46
Rot. Bonds6

About N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide

N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 47268214) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID47268214
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCCN(C(C)COC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H17N3O3S/c1-4-12(8(2)7-15-3)16(13,14)9-5-10-11-6-9/h5-6,8H,4,7H2,1-3H3,(H,10,11)
InChIKeyBQBLHUZJJIXYGZ-UHFFFAOYSA-N
XLogP0.46
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide (CID 47268214) is N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide is CCN(C(C)COC)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is BQBLHUZJJIXYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-4-12(8(2)7-15-3)16(13,14)9-5-10-11-6-9/h5-6,8H,4,7H2,1-3H3,(H,10,11).
What are the key properties of N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide?
N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methoxypropan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47268214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).