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

C23H22N4O — CID 166232006

IUPACN-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(C)c3cccc(C#N)c3)c3c2CCC3)cc1
InChIInChI=1S/C23H22N4O/c1-15-9-11-19(12-10-15)27-21-8-4-7-20(21)22(26-27)23(28)25-16(2)18-6-3-5-17(13-18)14-24/h3,5-6,9-13,16H,4,7-8H2,1-2H3,(H,25,28)
InChIKeyAMXPVKXWRUMJMA-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.03
Rot. Bonds4

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

N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 166232006) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID166232006
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(C)c3cccc(C#N)c3)c3c2CCC3)cc1
InChIInChI=1S/C23H22N4O/c1-15-9-11-19(12-10-15)27-21-8-4-7-20(21)22(26-27)23(28)25-16(2)18-6-3-5-17(13-18)14-24/h3,5-6,9-13,16H,4,7-8H2,1-2H3,(H,25,28)
InChIKeyAMXPVKXWRUMJMA-UHFFFAOYSA-N
XLogP4.03
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutan-2-yl)-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 146126250
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25491200
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
N-[1-(2-methylphenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929738
N-[(2R)-4-(dimethylamino)butan-2-yl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 95767759
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30480120
2-[[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]butanoic acid
CID 119223631
1-(4-fluorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25495208
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597591
1-(4-methylphenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55879885
1-(4-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 51958984
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 166232006) is N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC(C)c3cccc(C#N)c3)c3c2CCC3)cc1.
What is the InChIKey of N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is AMXPVKXWRUMJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-15-9-11-19(12-10-15)27-21-8-4-7-20(21)22(26-27)23(28)25-16(2)18-6-3-5-17(13-18)14-24/h3,5-6,9-13,16H,4,7-8H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 166232006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).