7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C20H17N3O — CID 2223398

IUPAC7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C)nc3c(-c4ccccc4)cnn23)cc1
InChIInChI=1S/C20H17N3O/c1-14-12-19(16-8-10-17(24-2)11-9-16)23-20(22-14)18(13-21-23)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyDNXIOVRFAHLVLH-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.38
Rot. Bonds3

About 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 2223398) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID2223398
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C)nc3c(-c4ccccc4)cnn23)cc1
InChIInChI=1S/C20H17N3O/c1-14-12-19(16-8-10-17(24-2)11-9-16)23-20(22-14)18(13-21-23)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyDNXIOVRFAHLVLH-UHFFFAOYSA-N
XLogP4.38
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 23648674

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 2223398) is 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(C)nc3c(-c4ccccc4)cnn23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DNXIOVRFAHLVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-12-19(16-8-10-17(24-2)11-9-16)23-20(22-14)18(13-21-23)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 315.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2223398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).