1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C12H14N4O3S — CID 19578872

IUPAC1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O3S/c1-2-16-8-7-11(15-16)12(17)14-9-3-5-10(6-4-9)20(13,18)19/h3-8H,2H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyJGVVNHPQLQKATJ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.80
Rot. Bonds4

About 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide

1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 19578872) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID19578872
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C12H14N4O3S/c1-2-16-8-7-11(15-16)12(17)14-9-3-5-10(6-4-9)20(13,18)19/h3-8H,2H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyJGVVNHPQLQKATJ-UHFFFAOYSA-N
XLogP0.80
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
1-ethyl-5-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide
CID 1013698
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
1-ethyl-N-[2-(methylsulfanyl)phenyl]-1H-pyrazole-3-carboxamide
CID 5215341
1-methyl-N-(4-(pyrrolidin-1-ylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4397834
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 24895441
1-[4-(3-Methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 785582
N-{4-[(ethylamino)sulfonyl]phenyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 3243581
1-ethyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895239
1-methyl-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24895437

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 19578872) is 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is JGVVNHPQLQKATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(15-16)12(17)14-9-3-5-10(6-4-9)20(13,18)19/h3-8H,2H2,1H3,(H,14,17)(H2,13,18,19).
What are the key properties of 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19578872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).