4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

C25H31N3O2 — CID 134809227

IUPAC4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c(CN2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)c1
InChIInChI=1S/C25H31N3O2/c1-17(2)21-9-6-7-10-22(21)24-18(3)26-28-14-8-13-27(25(24)28)16-19-15-20(29-4)11-12-23(19)30-5/h6-7,9-12,15,17H,8,13-14,16H2,1-5H3
InChIKeyAWJQBKDDYOMYOE-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.41
Rot. Bonds6

About 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine

4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (PubChem CID 134809227) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
PubChem CID134809227
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(OC)c(CN2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)c1
InChIInChI=1S/C25H31N3O2/c1-17(2)21-9-6-7-10-22(21)24-18(3)26-28-14-8-13-27(25(24)28)16-19-15-20(29-4)11-12-23(19)30-5/h6-7,9-12,15,17H,8,13-14,16H2,1-5H3
InChIKeyAWJQBKDDYOMYOE-UHFFFAOYSA-N
XLogP5.41
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine (CID 134809227) is 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is COc1ccc(OC)c(CN2CCCn3nc(C)c(-c4ccccc4C(C)C)c32)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is AWJQBKDDYOMYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17(2)21-9-6-7-10-22(21)24-18(3)26-28-14-8-13-27(25(24)28)16-19-15-20(29-4)11-12-23(19)30-5/h6-7,9-12,15,17H,8,13-14,16H2,1-5H3.
What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine?
4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 405.54 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 134809227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).