3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

C8H15N5O3S — CID 106332824

IUPAC3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H15N5O3S/c1-2-11-17(15,16)4-3-10-8(14)6-5-7(9)13-12-6/h5,11H,2-4H2,1H3,(H,10,14)(H3,9,12,13)
InChIKeyOYNDTGBMNDMSPF-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.34
Rot. Bonds6

About 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide

3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 106332824) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID106332824
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H15N5O3S/c1-2-11-17(15,16)4-3-10-8(14)6-5-7(9)13-12-6/h5,11H,2-4H2,1H3,(H,10,14)(H3,9,12,13)
InChIKeyOYNDTGBMNDMSPF-UHFFFAOYSA-N
XLogP-1.34
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-methyl-1H-pyrazole-3-carboxamide
CID 51072191
3-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 64523621
5-Amino-N-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-1H-pyrazole-3-carboxamide
CID 91759735
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 64524060
3-amino-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
CID 64524468
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524830
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524831
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64524834
3-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64525204
3-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 64525249
3-amino-N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-carboxamide
CID 65535142
3-amino-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-5-carboxamide
CID 105925818

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (CID 106332824) is 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is CCNS(=O)(=O)CCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OYNDTGBMNDMSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-2-11-17(15,16)4-3-10-8(14)6-5-7(9)13-12-6/h5,11H,2-4H2,1H3,(H,10,14)(H3,9,12,13).
What are the key properties of 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 261.31 g/mol, XLogP of -1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 106332824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).