N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H24N4O3 — CID 34271307

IUPACN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1
InChIInChI=1S/C23H24N4O3/c1-15-9-11-17(12-10-15)27-20-8-4-7-19(20)22(26-27)23(29)25-16-5-3-6-18(13-16)30-14-21(28)24-2/h3,5-6,9-13H,4,7-8,14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySYRVBDNKNBLTFY-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.05
Rot. Bonds6

About N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 34271307) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID34271307
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1
InChIInChI=1S/C23H24N4O3/c1-15-9-11-17(12-10-15)27-20-8-4-7-19(20)22(26-27)23(29)25-16-5-3-6-18(13-16)30-14-21(28)24-2/h3,5-6,9-13H,4,7-8,14H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySYRVBDNKNBLTFY-UHFFFAOYSA-N
XLogP3.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46468575
N-(2-anilino-2-oxoethyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55957907
N-[3-[(2-methoxyacetyl)amino]phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46585012
N-[3-(oxolan-2-ylmethoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42950417
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
1-(4-fluorophenyl)-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618962
1-(4-methylphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030532
N-(3-acetamidophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 18224743
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30859959
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187
3-hydroxy-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-2-carboxamide
CID 51105835

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 34271307) is N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)c1.
What is the InChIKey of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is SYRVBDNKNBLTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-9-11-17(12-10-15)27-20-8-4-7-19(20)22(26-27)23(29)25-16-5-3-6-18(13-16)30-14-21(28)24-2/h3,5-6,9-13H,4,7-8,14H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 34271307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).