5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide

C25H30ClN5O3S — CID 25181537

IUPAC5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCNC1CCCCC1)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O3S/c26-19-12-14-22(15-13-19)35(33,34)30-24-23(18-29-31(24)21-10-5-2-6-11-21)25(32)28-17-7-16-27-20-8-3-1-4-9-20/h2,5-6,10-15,18,20,27,30H,1,3-4,7-9,16-17H2,(H,28,32)
InChIKeyPAJWBUMYHQFKIO-UHFFFAOYSA-N
MW516.07 g/mol
LogP4.37
Rot. Bonds10

About 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide

5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 25181537) has the molecular formula C25H30ClN5O3S and a molecular weight of 516.07 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide
PubChem CID25181537
Molecular FormulaC25H30ClN5O3S
Molecular Weight516.07 g/mol
Exact Mass515.18
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCCCNC1CCCCC1)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O3S/c26-19-12-14-22(15-13-19)35(33,34)30-24-23(18-29-31(24)21-10-5-2-6-11-21)25(32)28-17-7-16-27-20-8-3-1-4-9-20/h2,5-6,10-15,18,20,27,30H,1,3-4,7-9,16-17H2,(H,28,32)
InChIKeyPAJWBUMYHQFKIO-UHFFFAOYSA-N
XLogP4.37
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.07
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcyclohexyl)-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57399909
3-Anilino-1-[1-(3-chlorophenyl)sulfonyl-4-(cyanomethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 90331845
3-[4-[(4-chlorophenyl)methylsulfamoyl]anilino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 91819675
3-[4-[(2-chlorophenyl)methylsulfamoyl]anilino]-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 91819676
4-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 44442431
4-chloro-N'-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}benzenesulfonohydrazide
CID 3758448
2-[1-(4-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-cyclohexylacetamide
CID 5310010
3-(5-(4-Chlorophenyl)-6-methyl-4-oxo-4,5-dihydropyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 23655076
N-hexan-3-yl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392882
N-cyclohexyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392871
N-cyclohexyl-N-methyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57392872
N-benzyl-5-[(4-methylphenyl)sulfonylamino]-1-phenylpyrazole-4-carboxamide
CID 57394598

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide (CID 25181537) is 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide is O=C(NCCCNC1CCCCC1)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is PAJWBUMYHQFKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3S/c26-19-12-14-22(15-13-19)35(33,34)30-24-23(18-29-31(24)21-10-5-2-6-11-21)25(32)28-17-7-16-27-20-8-3-1-4-9-20/h2,5-6,10-15,18,20,27,30H,1,3-4,7-9,16-17H2,(H,28,32).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide?
5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 516.07 g/mol, XLogP of 4.37, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-N-[3-(cyclohexylamino)propyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 25181537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).