4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol

C22H15N3O — CID 136810727

IUPAC4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol
SMILESOc1ccc(-c2cc(-c3ccccc3)nc3ccnn23)c2ccccc12
InChIInChI=1S/C22H15N3O/c26-21-11-10-17(16-8-4-5-9-18(16)21)20-14-19(15-6-2-1-3-7-15)24-22-12-13-23-25(20)22/h1-14,26H
InChIKeyXCEMAKJKELVVPT-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.92
Rot. Bonds2

About 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol

4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol (PubChem CID 136810727) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol
PubChem CID136810727
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol
SMILESOc1ccc(-c2cc(-c3ccccc3)nc3ccnn23)c2ccccc12
InChIInChI=1S/C22H15N3O/c26-21-11-10-17(16-8-4-5-9-18(16)21)20-14-19(15-6-2-1-3-7-15)24-22-12-13-23-25(20)22/h1-14,26H
InChIKeyXCEMAKJKELVVPT-UHFFFAOYSA-N
XLogP4.92
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135949504
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
2-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
CID 135727318
7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 70704851
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
CID 170782938
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 56883180
[(1R,2R,4R,5R)-5-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-2-bicyclo[2.2.1]heptanyl]methanol
CID 166380412
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70787447

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol?
The IUPAC name of 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol (CID 136810727) is 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol?
The canonical SMILES for 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol is Oc1ccc(-c2cc(-c3ccccc3)nc3ccnn23)c2ccccc12.
What is the InChIKey of 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol?
The InChIKey is XCEMAKJKELVVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c26-21-11-10-17(16-8-4-5-9-18(16)21)20-14-19(15-6-2-1-3-7-15)24-22-12-13-23-25(20)22/h1-14,26H.
What are the key properties of 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol?
4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol has a molecular weight of 337.38 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol is sourced from PubChem (CID 136810727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).