ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate

C9H15N3O4S — CID 102692863

IUPACethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c1-3-12(7-9(13)16-4-2)17(14,15)8-5-6-10-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyJBRBLSRYMZUYFO-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.02
Rot. Bonds6

About ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate

ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate (PubChem CID 102692863) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
PubChem CID102692863
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Nameethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate
SMILESCCOC(=O)CN(CC)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O4S/c1-3-12(7-9(13)16-4-2)17(14,15)8-5-6-10-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11)
InChIKeyJBRBLSRYMZUYFO-UHFFFAOYSA-N
XLogP-0.02
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102693048
ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate
CID 61012274
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-(2-cyanopropyl)-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102691107
methyl 2-[ethyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]acetate
CID 54998225
N-(2-methoxyethyl)-N-(3-methoxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692312
ethyl 2-[(5-bromo-2-methylphenyl)sulfonyl-ethylamino]acetate
CID 61012540
ethyl 2-[(3-bromothiophen-2-yl)sulfonyl-ethylamino]acetate
CID 61069107
ethyl 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetate
CID 54978459
ethyl 2-[(4-amino-3-fluorophenyl)sulfonyl-ethylamino]acetate
CID 82844557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate (CID 102692863) is ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate is CCOC(=O)CN(CC)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate?
The InChIKey is JBRBLSRYMZUYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-3-12(7-9(13)16-4-2)17(14,15)8-5-6-10-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate?
ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate has a molecular weight of 261.30 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(1H-pyrazol-5-ylsulfonyl)amino]acetate is sourced from PubChem (CID 102692863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).