N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine

C22H23N5 — CID 17017316

IUPACN-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cc(C)ccc1C
InChIInChI=1S/C22H23N5/c1-4-26(14-18-8-6-5-7-9-18)21-19-13-25-27(22(19)24-15-23-21)20-12-16(2)10-11-17(20)3/h5-13,15H,4,14H2,1-3H3
InChIKeyWJXHRTHKUZIPCF-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.46
Rot. Bonds5

About N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine

N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 17017316) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID17017316
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cc(C)ccc1C
InChIInChI=1S/C22H23N5/c1-4-26(14-18-8-6-5-7-9-18)21-19-13-25-27(22(19)24-15-23-21)20-12-16(2)10-11-17(20)3/h5-13,15H,4,14H2,1-3H3
InChIKeyWJXHRTHKUZIPCF-UHFFFAOYSA-N
XLogP4.46
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 17017316) is N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine is CCN(Cc1ccccc1)c1ncnc2c1cnn2-c1cc(C)ccc1C.
What is the InChIKey of N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is WJXHRTHKUZIPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-4-26(14-18-8-6-5-7-9-18)21-19-13-25-27(22(19)24-15-23-21)20-12-16(2)10-11-17(20)3/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine?
N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 17017316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).