1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine

C20H18N4O — CID 8539191

IUPAC1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)c1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O/c1-14(2)15-8-10-17(11-9-15)25-20-18-12-23-24(19(18)21-13-22-20)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyYKWCNBYYQXARCF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.73
Rot. Bonds4

About 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine

1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine (PubChem CID 8539191) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
PubChem CID8539191
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
SMILESCC(C)c1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H18N4O/c1-14(2)15-8-10-17(11-9-15)25-20-18-12-23-24(19(18)21-13-22-20)16-6-4-3-5-7-16/h3-14H,1-2H3
InChIKeyYKWCNBYYQXARCF-UHFFFAOYSA-N
XLogP4.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539532
4-(4-nitrophenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 167971445
1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540480
4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
2-methyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)oxypropan-2-amine
CID 64538208
4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 8540129
4-(4-chloro-2-methyl-5-nitrophenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 133309285
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
4-(naphthalen-1-ylmethoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 2095018
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[5,4-d]pyrimidine
CID 7205668
2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)acetonitrile
CID 11186011
1-(4-methoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069951

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine (CID 8539191) is 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine is CC(C)c1ccc(Oc2ncnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
The InChIKey is YKWCNBYYQXARCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14(2)15-8-10-17(11-9-15)25-20-18-12-23-24(19(18)21-13-22-20)16-6-4-3-5-7-16/h3-14H,1-2H3.
What are the key properties of 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine?
1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8539191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).