N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide

C13H16N4O3S — CID 69379442

IUPACN-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
SMILESCC(C)S(=O)(=O)Nc1cn[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N4O3S/c1-9(2)21(19,20)17-11-8-14-16-12(11)13(18)15-10-6-4-3-5-7-10/h3-9,17H,1-2H3,(H,14,16)(H,15,18)
InChIKeyILPHPMIJONVVRA-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.81
Rot. Bonds5

About N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide

N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide (PubChem CID 69379442) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
PubChem CID69379442
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide
SMILESCC(C)S(=O)(=O)Nc1cn[nH]c1C(=O)Nc1ccccc1
InChIInChI=1S/C13H16N4O3S/c1-9(2)21(19,20)17-11-8-14-16-12(11)13(18)15-10-6-4-3-5-7-10/h3-9,17H,1-2H3,(H,14,16)(H,15,18)
InChIKeyILPHPMIJONVVRA-UHFFFAOYSA-N
XLogP1.81
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.81
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
N-(4-fluorophenyl)-4-(methanesulfonamido)-1H-pyrazole-5-carboxamide
CID 59733321
[4-[[5-(phenylcarbamoyl)-1H-pyrazol-4-yl]amino]pyrimidin-5-yl]boronic acid
CID 164926330
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 19511285
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
4-chloro-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19579274
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 59733435
N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379957
N-propan-2-yl-4-(quinolin-8-ylsulfonylamino)-1H-pyrazole-5-carboxamide
CID 69380952
4-amino-N-(3-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 63105759

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide (CID 69379442) is N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide is CC(C)S(=O)(=O)Nc1cn[nH]c1C(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is ILPHPMIJONVVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-9(2)21(19,20)17-11-8-14-16-12(11)13(18)15-10-6-4-3-5-7-10/h3-9,17H,1-2H3,(H,14,16)(H,15,18).
What are the key properties of N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide?
N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(propan-2-ylsulfonylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69379442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).