1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C19H17N5 — CID 86766176

IUPAC1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-n1nc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C19H17N5/c1-2-13-8-6-7-11-15(13)24-19-16(18(20)21-12-22-19)17(23-24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H2,20,21,22)
InChIKeyREAUZEPSWRSYLS-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86766176) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86766176
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1ccccc1-n1nc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C19H17N5/c1-2-13-8-6-7-11-15(13)24-19-16(18(20)21-12-22-19)17(23-24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H2,20,21,22)
InChIKeyREAUZEPSWRSYLS-UHFFFAOYSA-N
XLogP3.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)-N-(iodomethyl)propanamide
CID 59465117
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 52942202
3-(4-chlorophenyl)-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24866636
3-(4-phenoxyphenyl)-1-(4-propan-2-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 167362273
3-(4-benzylphenyl)-1-nonan-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 155724782
[4-[[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl] acetate
CID 175032696
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
3-(1-benzylpyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269290
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 10935869
5-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,6-diphenylpyridazin-3-one
CID 118938050

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86766176) is 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is CCc1ccccc1-n1nc(-c2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is REAUZEPSWRSYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-13-8-6-7-11-15(13)24-19-16(18(20)21-12-22-19)17(23-24)14-9-4-3-5-10-14/h3-12H,2H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86766176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).