[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

C22H23N3OS — CID 55722192

IUPAC[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCCC3c3ccsc3)c3c2CCC3)cc1
InChIInChI=1S/C22H23N3OS/c1-15-7-9-17(10-8-15)25-20-5-2-4-18(20)21(23-25)22(26)24-12-3-6-19(24)16-11-13-27-14-16/h7-11,13-14,19H,2-6,12H2,1H3
InChIKeyYMEXRROKENZHQA-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.71
Rot. Bonds3

About [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (PubChem CID 55722192) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
PubChem CID55722192
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCCC3c3ccsc3)c3c2CCC3)cc1
InChIInChI=1S/C22H23N3OS/c1-15-7-9-17(10-8-15)25-20-5-2-4-18(20)21(23-25)22(26)24-12-3-6-19(24)16-11-13-27-14-16/h7-11,13-14,19H,2-6,12H2,1H3
InChIKeyYMEXRROKENZHQA-UHFFFAOYSA-N
XLogP4.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55597209
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone;hydrochloride
CID 119633659
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30906678
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119651227
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
1-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119166353
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119559896
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[4-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119559895
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
(2,3-dimethylpiperazin-1-yl)-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone;hydrochloride
CID 120571447

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone (CID 55722192) is [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is Cc1ccc(-n2nc(C(=O)N3CCCC3c3ccsc3)c3c2CCC3)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is YMEXRROKENZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-15-7-9-17(10-8-15)25-20-5-2-4-18(20)21(23-25)22(26)24-12-3-6-19(24)16-11-13-27-14-16/h7-11,13-14,19H,2-6,12H2,1H3.
What are the key properties of [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone?
[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 377.51 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55722192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).