ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

C22H27N3O4 — CID 170928576

IUPACethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CC(C[C@@H]1CCC(=O)N1)C2
InChIInChI=1S/C22H27N3O4/c1-3-29-22(27)21-18-11-15(10-16-6-9-20(26)23-16)12-19(18)25(24-21)13-14-4-7-17(28-2)8-5-14/h4-5,7-8,15-16H,3,6,9-13H2,1-2H3,(H,23,26)/t15?,16-/m0/s1
InChIKeyWFLGRSIDOBXYDZ-LYKKTTPLSA-N
MW397.48 g/mol
LogP2.50
Rot. Bonds7

About ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (PubChem CID 170928576) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
PubChem CID170928576
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CC(C[C@@H]1CCC(=O)N1)C2
InChIInChI=1S/C22H27N3O4/c1-3-29-22(27)21-18-11-15(10-16-6-9-20(26)23-16)12-19(18)25(24-21)13-14-4-7-17(28-2)8-5-14/h4-5,7-8,15-16H,3,6,9-13H2,1-2H3,(H,23,26)/t15?,16-/m0/s1
InChIKeyWFLGRSIDOBXYDZ-LYKKTTPLSA-N
XLogP2.50
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 170928567
ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223172
ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142747
ethyl 5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26233457
ethyl 5-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,2,4-triazole-3-carboxylate
CID 155678798
ethyl 1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26137849
ethyl 5-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26135313
ethyl 5-(3,4-dimethoxybenzoyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 22222617
ethyl 1-benzyl-5-(1-ethoxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220369
ethyl 5-amino-1-[(4-methoxyphenyl)methyl]imidazole-4-carboxylate
CID 12666140
ethyl 5-[4-(4-fluorophenyl)cyclohexyl]oxy-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 155422609
ethyl (4aR,8aR)-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4,4a,5,6,8a-hexahydroquinoline-7-carboxylate
CID 56954559

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (CID 170928576) is ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CC(C[C@@H]1CCC(=O)N1)C2.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is WFLGRSIDOBXYDZ-LYKKTTPLSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-29-22(27)21-18-11-15(10-16-6-9-20(26)23-16)12-19(18)25(24-21)13-14-4-7-17(28-2)8-5-14/h4-5,7-8,15-16H,3,6,9-13H2,1-2H3,(H,23,26)/t15?,16-/m0/s1.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 170928576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).