1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

C23H25ClN4O4S — CID 24620432

IUPAC1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H25ClN4O4S/c1-32-21-10-9-19(13-22(21)33(30,31)28-11-5-2-6-12-28)26-23(29)18-14-25-27(16-18)15-17-7-3-4-8-20(17)24/h3-4,7-10,13-14,16H,2,5-6,11-12,15H2,1H3,(H,26,29)
InChIKeyBHUVMPSEPGZDHP-UHFFFAOYSA-N
MW489.00 g/mol
LogP4.02
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 24620432) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID24620432
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C23H25ClN4O4S/c1-32-21-10-9-19(13-22(21)33(30,31)28-11-5-2-6-12-28)26-23(29)18-14-25-27(16-18)15-17-7-3-4-8-20(17)24/h3-4,7-10,13-14,16H,2,5-6,11-12,15H2,1H3,(H,26,29)
InChIKeyBHUVMPSEPGZDHP-UHFFFAOYSA-N
XLogP4.02
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide (CID 24620432) is 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is BHUVMPSEPGZDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-32-21-10-9-19(13-22(21)33(30,31)28-11-5-2-6-12-28)26-23(29)18-14-25-27(16-18)15-17-7-3-4-8-20(17)24/h3-4,7-10,13-14,16H,2,5-6,11-12,15H2,1H3,(H,26,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24620432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).