7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C18H17N5O — CID 4898409

IUPAC7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
InChIInChI=1S/C18H17N5O/c1-12-10-16(22-9-8-19-11-22)23-18(20-12)17(13(2)21-23)14-6-4-5-7-15(14)24-3/h4-11H,1-3H3
InChIKeyUECHGBSKJXTKIM-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.21
Rot. Bonds3

About 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 4898409) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID4898409
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12
InChIInChI=1S/C18H17N5O/c1-12-10-16(22-9-8-19-11-22)23-18(20-12)17(13(2)21-23)14-6-4-5-7-15(14)24-3/h4-11H,1-3H3
InChIKeyUECHGBSKJXTKIM-UHFFFAOYSA-N
XLogP3.21
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 4898409) is 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1c(C)nn2c(-n3ccnc3)cc(C)nc12.
What is the InChIKey of 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UECHGBSKJXTKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-10-16(22-9-8-19-11-22)23-18(20-12)17(13(2)21-23)14-6-4-5-7-15(14)24-3/h4-11H,1-3H3.
What are the key properties of 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4898409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).