3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

C13H16N4O3S — CID 167944646

IUPAC3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCCCc1ccccc1S(=O)(=O)Nc1cc(C(N)=O)[nH]n1
InChIInChI=1S/C13H16N4O3S/c1-2-5-9-6-3-4-7-11(9)21(19,20)17-12-8-10(13(14)18)15-16-12/h3-4,6-8H,2,5H2,1H3,(H2,14,18)(H2,15,16,17)
InChIKeyUBENFRAZEQQWMN-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.26
Rot. Bonds6

About 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 167944646) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID167944646
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCCCc1ccccc1S(=O)(=O)Nc1cc(C(N)=O)[nH]n1
InChIInChI=1S/C13H16N4O3S/c1-2-5-9-6-3-4-7-11(9)21(19,20)17-12-8-10(13(14)18)15-16-12/h3-4,6-8H,2,5H2,1H3,(H2,14,18)(H2,15,16,17)
InChIKeyUBENFRAZEQQWMN-UHFFFAOYSA-N
XLogP1.26
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167818865
3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 167774919
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
N-(5-ethyl-1H-pyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 115695455
3-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167875091
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64526713
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
3-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxamide
CID 166435149
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
CID 70066284
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
N-(5-ethyl-1H-pyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115750876

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 167944646) is 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is CCCc1ccccc1S(=O)(=O)Nc1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UBENFRAZEQQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-2-5-9-6-3-4-7-11(9)21(19,20)17-12-8-10(13(14)18)15-16-12/h3-4,6-8H,2,5H2,1H3,(H2,14,18)(H2,15,16,17).
What are the key properties of 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167944646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).