7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C25H25N3O3 — CID 24776040

IUPAC7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC5CCCC5)c4)n3n2)cc1
InChIInChI=1S/C25H25N3O3/c1-29-19-10-7-17(8-11-19)21-16-25-26-14-13-22(28(25)27-21)18-9-12-23(30-2)24(15-18)31-20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3
InChIKeyAKNFCRWBEBTKLD-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.40
Rot. Bonds6

About 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 24776040) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID24776040
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC5CCCC5)c4)n3n2)cc1
InChIInChI=1S/C25H25N3O3/c1-29-19-10-7-17(8-11-19)21-16-25-26-14-13-22(28(25)27-21)18-9-12-23(30-2)24(15-18)31-20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3
InChIKeyAKNFCRWBEBTKLD-UHFFFAOYSA-N
XLogP5.40
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Mak-683
CID 121412508
Unii-XX8E5WP7FS
CID 118009787
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
Triazolopyridazine, 18
CID 42647289
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905153
Pci 29732
CID 22347110
ML303
CID 136141525
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
Methyl substituted pyrazole, 28
CID 23648676
Triazolopyridazine, 17
CID 44143459
Ret-IN-3
CID 146018674
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 24776040) is 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nccc(-c4ccc(OC)c(OC5CCCC5)c4)n3n2)cc1.
What is the InChIKey of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AKNFCRWBEBTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-29-19-10-7-17(8-11-19)21-16-25-26-14-13-22(28(25)27-21)18-9-12-23(30-2)24(15-18)31-20-5-3-4-6-20/h7-16,20H,3-6H2,1-2H3.
What are the key properties of 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 415.49 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24776040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).