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

C8H15N5O3S — CID 114174759

IUPAC3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H15N5O3S/c1-13(2)17(15,16)4-3-10-8(14)6-5-7(9)12-11-6/h5H,3-4H2,1-2H3,(H,10,14)(H3,9,11,12)
InChIKeyTUORLNUTQXWLJG-UHFFFAOYSA-N
MW261.31 g/mol
LogP-1.39
Rot. Bonds5

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

3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 114174759) has the molecular formula C8H15N5O3S and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID114174759
Molecular FormulaC8H15N5O3S
Molecular Weight261.31 g/mol
Exact Mass261.09
IUPAC Name3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(C)S(=O)(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C8H15N5O3S/c1-13(2)17(15,16)4-3-10-8(14)6-5-7(9)12-11-6/h5H,3-4H2,1-2H3,(H,10,14)(H3,9,11,12)
InChIKeyTUORLNUTQXWLJG-UHFFFAOYSA-N
XLogP-1.39
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
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-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide (CID 114174759) is 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is CN(C)S(=O)(=O)CCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is TUORLNUTQXWLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S/c1-13(2)17(15,16)4-3-10-8(14)6-5-7(9)12-11-6/h5H,3-4H2,1-2H3,(H,10,14)(H3,9,11,12).
What are the key properties of 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 261.31 g/mol, XLogP of -1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).