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

C15H13Cl2N3O2 — CID 135433585

IUPACmethyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-8-13(15(21)22-2)14(20-12(19-8)5-6-18-20)9-3-4-10(16)11(17)7-9/h3-7,14,19H,1-2H3
InChIKeyRUCAUJDIGDMRNC-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.65
Rot. Bonds2

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

methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135433585) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135433585
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC Namemethyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-8-13(15(21)22-2)14(20-12(19-8)5-6-18-20)9-3-4-10(16)11(17)7-9/h3-7,14,19H,1-2H3
InChIKeyRUCAUJDIGDMRNC-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135433132
CID 135443450
CID 135443450
9-(3,4-Dichlorophenyl)-5,6,7,9-tetrahydropyrazolo[5.1-b]quinazolin-8(4H)-one
CID 135494158
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135532460
CID 135532473
CID 135532473
CID 135532763
CID 135532763
CID 135532777
CID 135532777
Azepan-1-yl-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135843701
CID 135843739
CID 135843739
CID 135843758
CID 135843758
CID 135843764
CID 135843764
CID 135843766
CID 135843766

Frequently Asked Questions

What is the IUPAC name of methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135433585) is methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is RUCAUJDIGDMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-8-13(15(21)22-2)14(20-12(19-8)5-6-18-20)9-3-4-10(16)11(17)7-9/h3-7,14,19H,1-2H3.
What are the key properties of methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 338.19 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135433585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).