7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C23H25N3O3 — CID 17067733

IUPAC7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c2N=C(C)CC3c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H25N3O3/c1-14-12-20(19-11-10-18(28-4)13-21(19)29-5)26-23(24-14)22(15(2)25-26)16-6-8-17(27-3)9-7-16/h6-11,13,20H,12H2,1-5H3
InChIKeyJAZSBNHBULDDOI-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.97
Rot. Bonds5

About 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 17067733) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID17067733
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c2N=C(C)CC3c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C23H25N3O3/c1-14-12-20(19-11-10-18(28-4)13-21(19)29-5)26-23(24-14)22(15(2)25-26)16-6-8-17(27-3)9-7-16/h6-11,13,20H,12H2,1-5H3
InChIKeyJAZSBNHBULDDOI-UHFFFAOYSA-N
XLogP4.97
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 17067733) is 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c2N=C(C)CC3c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is JAZSBNHBULDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-12-20(19-11-10-18(28-4)13-21(19)29-5)26-23(24-14)22(15(2)25-26)16-6-8-17(27-3)9-7-16/h6-11,13,20H,12H2,1-5H3.
What are the key properties of 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 391.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 17067733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).