7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C25H23N5O2 — CID 53330827

IUPAC7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C)nn2-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C25H23N5O2/c1-16-13-22(18-5-9-20(31-3)10-6-18)29-24(26-16)15-25(28-29)30-23(14-17(2)27-30)19-7-11-21(32-4)12-8-19/h5-15H,1-4H3
InChIKeyNSHNCBBZVKTKSJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.88
Rot. Bonds5

About 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 53330827) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID53330827
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(C)nn2-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1
InChIInChI=1S/C25H23N5O2/c1-16-13-22(18-5-9-20(31-3)10-6-18)29-24(26-16)15-25(28-29)30-23(14-17(2)27-30)19-7-11-21(32-4)12-8-19/h5-15H,1-4H3
InChIKeyNSHNCBBZVKTKSJ-UHFFFAOYSA-N
XLogP4.88
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 53330827) is 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(C)nn2-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NSHNCBBZVKTKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-13-22(18-5-9-20(31-3)10-6-18)29-24(26-16)15-25(28-29)30-23(14-17(2)27-30)19-7-11-21(32-4)12-8-19/h5-15H,1-4H3.
What are the key properties of 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 425.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53330827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).