N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H27N3O3S — CID 55597785

IUPACN-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)C(C)c3ccc(S(C)(=O)=O)cc3)c3c2CCC3)cc1
InChIInChI=1S/C24H27N3O3S/c1-16-8-12-19(13-9-16)27-22-7-5-6-21(22)23(25-27)24(28)26(3)17(2)18-10-14-20(15-11-18)31(4,29)30/h8-15,17H,5-7H2,1-4H3
InChIKeyNHJIQMNZAKWBPT-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.91
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55597785) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55597785
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)C(C)c3ccc(S(C)(=O)=O)cc3)c3c2CCC3)cc1
InChIInChI=1S/C24H27N3O3S/c1-16-8-12-19(13-9-16)27-22-7-5-6-21(22)23(25-27)24(28)26(3)17(2)18-10-14-20(15-11-18)31(4,29)30/h8-15,17H,5-7H2,1-4H3
InChIKeyNHJIQMNZAKWBPT-UHFFFAOYSA-N
XLogP3.91
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55597785) is N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N(C)C(C)c3ccc(S(C)(=O)=O)cc3)c3c2CCC3)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is NHJIQMNZAKWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-8-12-19(13-9-16)27-22-7-5-6-21(22)23(25-27)24(28)26(3)17(2)18-10-14-20(15-11-18)31(4,29)30/h8-15,17H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55597785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).