2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole

C21H15Cl2N5O — CID 135843730

IUPAC2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1=C(c2nnc(-c3ccccc3)o2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H15Cl2N5O/c1-12-18(21-27-26-20(29-21)13-5-3-2-4-6-13)19(28-17(25-12)9-10-24-28)14-7-8-15(22)16(23)11-14/h2-11,19,25H,1H3
InChIKeyQFLMCHHTNWOOFU-UHFFFAOYSA-N
MW424.29 g/mol
LogP5.69
Rot. Bonds3

About 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole

2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 135843730) has the molecular formula C21H15Cl2N5O and a molecular weight of 424.29 g/mol. Its IUPAC name is 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID135843730
Molecular FormulaC21H15Cl2N5O
Molecular Weight424.29 g/mol
Exact Mass423.07
IUPAC Name2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1=C(c2nnc(-c3ccccc3)o2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H15Cl2N5O/c1-12-18(21-27-26-20(29-21)13-5-3-2-4-6-13)19(28-17(25-12)9-10-24-28)14-7-8-15(22)16(23)11-14/h2-11,19,25H,1H3
InChIKeyQFLMCHHTNWOOFU-UHFFFAOYSA-N
XLogP5.69
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole 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

[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 135843840
2-Butyl-5-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-1,3,4-oxadiazole
CID 135843720
2-[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3-oxazole
CID 135843731
3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018479
tert-butyl 4-[3-[5-(3-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137026127
3-[5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-7-(1-methylpiperidin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 139333529
2-(7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)-5-phenyl-1,3,4-oxadiazole
CID 91282643
Tert-butyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135407098
Methyl 7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135433585
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 135843691
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 135843692
[7-(3,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-phenylpyrazolidin-1-yl)methanone
CID 135843696

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole (CID 135843730) is 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole is CC1=C(c2nnc(-c3ccccc3)o2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QFLMCHHTNWOOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O/c1-12-18(21-27-26-20(29-21)13-5-3-2-4-6-13)19(28-17(25-12)9-10-24-28)14-7-8-15(22)16(23)11-14/h2-11,19,25H,1H3.
What are the key properties of 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole?
2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 424.29 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 135843730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).