5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

C23H25ClN4O4S — CID 16574483

IUPAC5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H25ClN4O4S/c1-17-21(22(24)28(26-17)20-9-3-2-4-10-20)23(29)25-15-18-7-5-6-8-19(18)16-33(30,31)27-11-13-32-14-12-27/h2-10H,11-16H2,1H3,(H,25,29)
InChIKeyYKSIUWHEBUWFOH-UHFFFAOYSA-N
MW489.00 g/mol
LogP2.93
Rot. Bonds7

About 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 16574483) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID16574483
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H25ClN4O4S/c1-17-21(22(24)28(26-17)20-9-3-2-4-10-20)23(29)25-15-18-7-5-6-8-19(18)16-33(30,31)27-11-13-32-14-12-27/h2-10H,11-16H2,1H3,(H,25,29)
InChIKeyYKSIUWHEBUWFOH-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526
3,5-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 31787078
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 24541820
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide (CID 16574483) is 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YKSIUWHEBUWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-17-21(22(24)28(26-17)20-9-3-2-4-10-20)23(29)25-15-18-7-5-6-8-19(18)16-33(30,31)27-11-13-32-14-12-27/h2-10H,11-16H2,1H3,(H,25,29).
What are the key properties of 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 489.00 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 16574483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).