ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate

C16H18ClN3O2 — CID 136790599

IUPACethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c(CC)nn2c1N[C@H](c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H18ClN3O2/c1-3-12-14(16(21)22-4-2)15-18-13(9-20(15)19-12)10-5-7-11(17)8-6-10/h5-8,13,18H,3-4,9H2,1-2H3/t13-/m0/s1
InChIKeyCVXXABBBXRWDHJ-ZDUSSCGKSA-N
MW319.79 g/mol
LogP3.44
Rot. Bonds4

About ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate

ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 136790599) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID136790599
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Nameethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
SMILESCCOC(=O)c1c(CC)nn2c1N[C@H](c1ccc(Cl)cc1)C2
InChIInChI=1S/C16H18ClN3O2/c1-3-12-14(16(21)22-4-2)15-18-13(9-20(15)19-12)10-5-7-11(17)8-6-10/h5-8,13,18H,3-4,9H2,1-2H3/t13-/m0/s1
InChIKeyCVXXABBBXRWDHJ-ZDUSSCGKSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate with MolForge

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Related Compounds

ethyl 5-amino-1-(3-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2864438
Ethyl 7-(4-chlorophenyl)-3-cyclohexyl-1H,2H,3H,4H-pyrazolo[1,5-A][1,3,5]triazine-8-carboxylate
CID 135609758
methyl 4-[(1S)-1-[[1-[(4-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 129047256
Ethyl 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 2884602
Methyl 1-[(2-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030725
Methyl 1-[(3,5-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030737
Methyl 1-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030746
Methyl 1-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030775
Methyl 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030859
Ethyl 6-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030879
Methyl 1-[(4-chlorophenyl)methyl]-6-(trifluoromethyl)-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129030894
Ethyl 6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[1,2-b]pyrazole-7-carboxylate
CID 129031073

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate (CID 136790599) is ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate is CCOC(=O)c1c(CC)nn2c1N[C@H](c1ccc(Cl)cc1)C2.
What is the InChIKey of ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is CVXXABBBXRWDHJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-3-12-14(16(21)22-4-2)15-18-13(9-20(15)19-12)10-5-7-11(17)8-6-10/h5-8,13,18H,3-4,9H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate?
ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 319.79 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(4-chlorophenyl)-6-ethyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 136790599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).