ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

C16H15Cl2N3O2 — CID 135960820

IUPACethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccnn2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-3-23-16(22)13-9(2)20-12-7-8-19-21(12)15(13)10-5-4-6-11(17)14(10)18/h4-8,15,20H,3H2,1-2H3
InChIKeyGLTMERODYMIDGG-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.04
Rot. Bonds3

About ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135960820) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135960820
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Nameethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2ccnn2C1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-3-23-16(22)13-9(2)20-12-7-8-19-21(12)15(13)10-5-4-6-11(17)14(10)18/h4-8,15,20H,3H2,1-2H3
InChIKeyGLTMERODYMIDGG-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

CID 135443450
CID 135443450
CID 135532763
CID 135532763
CID 135843739
CID 135843739
CID 135843758
CID 135843758
CID 135843764
CID 135843764
CID 135843766
CID 135843766
CID 135843919
CID 135843919
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 135960822
2-Butyl-5-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-1,3,4-oxadiazole
CID 135843720
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 135960821
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, ethyl ester
CID 3063370
Pyrazolo(1,5-a)pyrimidine-6-carboxylic acid, 4,7-dihydro-5-methyl-7-(2-(trifluoromethyl)phenyl)-, 1-methylethyl ester
CID 3065084

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135960820) is ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)C1=C(C)Nc2ccnn2C1c1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is GLTMERODYMIDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-3-23-16(22)13-9(2)20-12-7-8-19-21(12)15(13)10-5-4-6-11(17)14(10)18/h4-8,15,20H,3H2,1-2H3.
What are the key properties of ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 352.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135960820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).