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

C13H16N4O3S — CID 35325067

IUPAC1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H16N4O3S/c1-2-8-17-9-7-12(16-17)13(18)15-10-3-5-11(6-4-10)21(14,19)20/h3-7,9H,2,8H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeySBZHDPOJVJAHOS-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.19
Rot. Bonds5

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

1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 35325067) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID35325067
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H16N4O3S/c1-2-8-17-9-7-12(16-17)13(18)15-10-3-5-11(6-4-10)21(14,19)20/h3-7,9H,2,8H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeySBZHDPOJVJAHOS-UHFFFAOYSA-N
XLogP1.19
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
4-bromo-1-ethyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35324833
propyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 19580076
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
4-chloro-1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-5-carboxamide
CID 3604338
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide
CID 35325097
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
N-(4-sulfamoylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 60709326

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 35325067) is 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is CCCn1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is SBZHDPOJVJAHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-2-8-17-9-7-12(16-17)13(18)15-10-3-5-11(6-4-10)21(14,19)20/h3-7,9H,2,8H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35325067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).