N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

C16H22N4O3S — CID 69379957

IUPACN-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cn[nH]c2C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C16H22N4O3S/c1-9(2)18-16(21)14-13(8-17-19-14)20-24(22,23)15-11(4)6-10(3)7-12(15)5/h6-9,20H,1-5H3,(H,17,19)(H,18,21)
InChIKeyOGKXGSRCQOBAJY-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.27
Rot. Bonds5

About N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide

N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (PubChem CID 69379957) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
PubChem CID69379957
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC NameN-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cn[nH]c2C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C16H22N4O3S/c1-9(2)18-16(21)14-13(8-17-19-14)20-24(22,23)15-11(4)6-10(3)7-12(15)5/h6-9,20H,1-5H3,(H,17,19)(H,18,21)
InChIKeyOGKXGSRCQOBAJY-UHFFFAOYSA-N
XLogP2.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380132
4-[(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379969
N-propan-2-yl-4-(quinolin-8-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380952
4-methyl-N-(3-methylbutan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]benzamide
CID 43016594
2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide
CID 17421400
4-[(2,4-difluorobenzoyl)amino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69378981
N-[5-(propan-2-ylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379543
4-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]-N-propan-2-yl-1H-pyrazole-5-carboxamide
CID 69379775
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860
4-[(4-ethenylphenyl)sulfonylamino]-N-methyl-1H-pyrazole-5-carboxamide
CID 69380823
2-[[2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378591
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2,4,6-trimethylphenyl)sulfonylamino]benzoate
CID 7744895

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide (CID 69379957) is N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is Cc1cc(C)c(S(=O)(=O)Nc2cn[nH]c2C(=O)NC(C)C)c(C)c1.
What is the InChIKey of N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
The InChIKey is OGKXGSRCQOBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-9(2)18-16(21)14-13(8-17-19-14)20-24(22,23)15-11(4)6-10(3)7-12(15)5/h6-9,20H,1-5H3,(H,17,19)(H,18,21).
What are the key properties of N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide?
N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).