methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

C15H16ClN3O2 — CID 159527424

IUPACmethyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C)nn2c1N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C15H16ClN3O2/c1-10-13(15(20)21-2)14-18(6-7-19(14)17-10)9-11-4-3-5-12(16)8-11/h3-5,8H,6-7,9H2,1-2H3
InChIKeyKXWASROEFHSIDP-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.65
Rot. Bonds3

About methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 159527424) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID159527424
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Namemethyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C)nn2c1N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C15H16ClN3O2/c1-10-13(15(20)21-2)14-18(6-7-19(14)17-10)9-11-4-3-5-12(16)8-11/h3-5,8H,6-7,9H2,1-2H3
InChIKeyKXWASROEFHSIDP-UHFFFAOYSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate with MolForge

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Related Compounds

methyl 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 162079623
6-methyl-1-[(4-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
CID 158677677
methyl 4-[(1R)-2-hydroxy-1-[[6-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 159462919
methyl 4-[(1S)-1-[[1-[(4-hydroxyphenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 157437785
methyl 1-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 59583410
methyl 2-fluoro-4-[(1S)-1-[[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate
CID 158434017
methyl 4-amino-2-[(3-chlorophenyl)methyl]-6-methylpyrimidine-5-carboxylate
CID 116647586
4-[(1S)-1-[[1-[(4-chloro-3-methylphenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid
CID 159887178
methyl 4-[(1S)-1-[[6-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoate;methyl 6-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate;4-[(1S)-1-[[6-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carbonyl]amino]ethyl]benzoic acid;6-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid;methyl 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carboxylate
CID 157190593
methyl 4-[(3-chlorophenyl)methyl]piperazine-1-carboxylate
CID 110399100
ethyl 6-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
CID 129030879
5-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077230

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 159527424) is methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C)nn2c1N(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is KXWASROEFHSIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10-13(15(20)21-2)14-18(6-7-19(14)17-10)9-11-4-3-5-12(16)8-11/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 305.77 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-chlorophenyl)methyl]-6-methyl-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 159527424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).