ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate

C10H17N3O4S — CID 61008222

IUPACethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O4S/c1-3-5-13(8-10(14)17-4-2)18(15,16)9-6-11-12-7-9/h6-7H,3-5,8H2,1-2H3,(H,11,12)
InChIKeyPECBVNPINBWEBX-UHFFFAOYSA-N
MW275.33 g/mol
LogP0.37
Rot. Bonds7

About ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate

ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate (PubChem CID 61008222) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
PubChem CID61008222
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Nameethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H17N3O4S/c1-3-5-13(8-10(14)17-4-2)18(15,16)9-6-11-12-7-9/h6-7H,3-5,8H2,1-2H3,(H,11,12)
InChIKeyPECBVNPINBWEBX-UHFFFAOYSA-N
XLogP0.37
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116
ethyl 2-[(4-bromophenyl)sulfonyl-propylamino]acetate
CID 60520900
ethyl 2-[(4-tert-butylphenyl)sulfonyl-propylamino]acetate
CID 55855485
N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-4-sulfonamide
CID 47267555
ethyl 2-[[4-(bromomethyl)phenyl]sulfonyl-propylamino]acetate
CID 65482015
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 54877062
N-butyl-N-(2-hydroxyethyl)-1H-pyrazole-4-sulfonamide
CID 60958525
ethyl 2-[(3-bromophenyl)sulfonyl-propylamino]acetate
CID 60521021
N-butyl-N-(2-chloroethyl)-1H-pyrazole-4-sulfonamide
CID 63396636
ethyl 2-[butyl-(4-methylphenyl)sulfonylamino]acetate
CID 131719040
ethyl 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetate
CID 55854831
ethyl 2-[(2-chloro-5-methylsulfonylphenyl)sulfonyl-propylamino]acetate
CID 47059378

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
The IUPAC name of ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate (CID 61008222) is ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
The canonical SMILES for ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate is CCCN(CC(=O)OCC)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
The InChIKey is PECBVNPINBWEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-3-5-13(8-10(14)17-4-2)18(15,16)9-6-11-12-7-9/h6-7H,3-5,8H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate?
ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate has a molecular weight of 275.33 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate is sourced from PubChem (CID 61008222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).