ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate

C10H15N3O4S — CID 60727337

IUPACethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H15N3O4S/c1-2-17-10(14)8-6-11-13-9(8)18(15,16)12-5-7-3-4-7/h6-7,12H,2-5H2,1H3,(H,11,13)
InChIKeyASDGHODIVVYFJJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.27
Rot. Bonds6

About ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 60727337) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID60727337
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Nameethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC1CC1
InChIInChI=1S/C10H15N3O4S/c1-2-17-10(14)8-6-11-13-9(8)18(15,16)12-5-7-3-4-7/h6-7,12H,2-5H2,1H3,(H,11,13)
InChIKeyASDGHODIVVYFJJ-UHFFFAOYSA-N
XLogP0.27
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-pyrrolidin-3-ylethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119977041
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060
ethyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 119989814
ethyl 5-(2-cyclopropylpropan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 103835883
ethyl 5-(pyrrolidin-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119966905
ethyl 5-(oxan-4-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60911937
ethyl 5-[3-(ethylamino)propylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 61403878
ethyl 5-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 119967799
ethyl 5-[(1-methylpiperidin-4-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713502
ethyl 5-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60713652
ethyl 5-[4-(ethylaminomethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate;hydrochloride
CID 119990366

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 60727337) is ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCC1CC1.
What is the InChIKey of ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is ASDGHODIVVYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-2-17-10(14)8-6-11-13-9(8)18(15,16)12-5-7-3-4-7/h6-7,12H,2-5H2,1H3,(H,11,13).
What are the key properties of ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 273.31 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 60727337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).