2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol

C25H23N5O2 — CID 68653874

IUPAC2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol
SMILESCOCc1ccccc1-c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3O)c(C)nn12
InChIInChI=1S/C25H23N5O2/c1-16-13-22(20-8-5-4-7-18(20)15-32-3)30-25(27-16)24(17(2)28-30)21-10-9-19(14-23(21)31)29-12-6-11-26-29/h4-14,31H,15H2,1-3H3
InChIKeyHTRNXOPWOLJWAQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.72
Rot. Bonds5

About 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol

2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol (PubChem CID 68653874) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol
PubChem CID68653874
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol
SMILESCOCc1ccccc1-c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3O)c(C)nn12
InChIInChI=1S/C25H23N5O2/c1-16-13-22(20-8-5-4-7-18(20)15-32-3)30-25(27-16)24(17(2)28-30)21-10-9-19(14-23(21)31)29-12-6-11-26-29/h4-14,31H,15H2,1-3H3
InChIKeyHTRNXOPWOLJWAQ-UHFFFAOYSA-N
XLogP4.72
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol (CID 68653874) is 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol is COCc1ccccc1-c1cc(C)nc2c(-c3ccc(-n4cccn4)cc3O)c(C)nn12.
What is the InChIKey of 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol?
The InChIKey is HTRNXOPWOLJWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-13-22(20-8-5-4-7-18(20)15-32-3)30-25(27-16)24(17(2)28-30)21-10-9-19(14-23(21)31)29-12-6-11-26-29/h4-14,31H,15H2,1-3H3.
What are the key properties of 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol?
2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol has a molecular weight of 425.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(methoxymethyl)phenyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 68653874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).