2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C25H23N5O3 — CID 162650882

IUPAC2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccc(-c5cnn(C)c5)cc4)nn23)cc(OC)c1OC
InChIInChI=1S/C25H23N5O3/c1-29-15-19(14-27-29)16-5-7-17(8-6-16)20-13-24-26-10-9-21(30(24)28-20)18-11-22(31-2)25(33-4)23(12-18)32-3/h5-15H,1-4H3
InChIKeyXZPBQXCEUOHKMM-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.49
Rot. Bonds6

About 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162650882) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162650882
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2ccnc3cc(-c4ccc(-c5cnn(C)c5)cc4)nn23)cc(OC)c1OC
InChIInChI=1S/C25H23N5O3/c1-29-15-19(14-27-29)16-5-7-17(8-6-16)20-13-24-26-10-9-21(30(24)28-20)18-11-22(31-2)25(33-4)23(12-18)32-3/h5-15H,1-4H3
InChIKeyXZPBQXCEUOHKMM-UHFFFAOYSA-N
XLogP4.49
TPSA75.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 162650882) is 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2ccnc3cc(-c4ccc(-c5cnn(C)c5)cc4)nn23)cc(OC)c1OC.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XZPBQXCEUOHKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-29-15-19(14-27-29)16-5-7-17(8-6-16)20-13-24-26-10-9-21(30(24)28-20)18-11-22(31-2)25(33-4)23(12-18)32-3/h5-15H,1-4H3.
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 441.49 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)phenyl]-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162650882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).