ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C15H19N3O4S — CID 46510750

IUPACethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H19N3O4S/c1-4-22-15(19)12-9-16-17-14(12)23(20,21)18-13-8-6-5-7-11(13)10(2)3/h5-10,18H,4H2,1-3H3,(H,16,17)
InChIKeyUVXPSGKDBPNQNF-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.51
Rot. Bonds6

About ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 46510750) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID46510750
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Nameethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C15H19N3O4S/c1-4-22-15(19)12-9-16-17-14(12)23(20,21)18-13-8-6-5-7-11(13)10(2)3/h5-10,18H,4H2,1-3H3,(H,16,17)
InChIKeyUVXPSGKDBPNQNF-UHFFFAOYSA-N
XLogP2.51
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60712737
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ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
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ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 167770732
ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 80708490
ethyl 5-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713526
ethyl 5-(1-hydroxypentan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 115755167
ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 103775663
ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46514340
ethyl 5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 103943302

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 46510750) is ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccccc1C(C)C.
What is the InChIKey of ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is UVXPSGKDBPNQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-4-22-15(19)12-9-16-17-14(12)23(20,21)18-13-8-6-5-7-11(13)10(2)3/h5-10,18H,4H2,1-3H3,(H,16,17).
What are the key properties of ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 46510750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).