N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide

C33H32N4O4S — CID 90656829

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccc4ccccc4c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C33H32N4O4S/c1-23-7-11-27(12-8-23)32-30(22-36(35-32)21-25-10-13-26-5-3-4-6-28(26)19-25)33(38)34-29-14-9-24(2)31(20-29)42(39,40)37-15-17-41-18-16-37/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,34,38)
InChIKeyGCTGXLIAMDETLS-UHFFFAOYSA-N
MW580.71 g/mol
LogP5.64
Rot. Bonds7

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 90656829) has the molecular formula C33H32N4O4S and a molecular weight of 580.71 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID90656829
Molecular FormulaC33H32N4O4S
Molecular Weight580.71 g/mol
Exact Mass580.21
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccc4ccccc4c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C33H32N4O4S/c1-23-7-11-27(12-8-23)32-30(22-36(35-32)21-25-10-13-26-5-3-4-6-28(26)19-25)33(38)34-29-14-9-24(2)31(20-29)42(39,40)37-15-17-41-18-16-37/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,34,38)
InChIKeyGCTGXLIAMDETLS-UHFFFAOYSA-N
XLogP5.64
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3351443
N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 4230997
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579168
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 90656808
1-(4-hydroxybutyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656809
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 90656813
N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656817
1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656822
1-(3-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656823
1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656824
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 90656825
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656827

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide (CID 90656829) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccc4ccccc4c3)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is GCTGXLIAMDETLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O4S/c1-23-7-11-27(12-8-23)32-30(22-36(35-32)21-25-10-13-26-5-3-4-6-28(26)19-25)33(38)34-29-14-9-24(2)31(20-29)42(39,40)37-15-17-41-18-16-37/h3-14,19-20,22H,15-18,21H2,1-2H3,(H,34,38).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 580.71 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90656829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).