5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

C19H17N5 — CID 118708223

IUPAC5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)11-17-21-16-12-24(15-5-3-2-4-6-15)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyJISSWVLGRLTEIG-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.30
Rot. Bonds3

About 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine

5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708223) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708223
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1
InChIInChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)11-17-21-16-12-24(15-5-3-2-4-6-15)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyJISSWVLGRLTEIG-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708223) is 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is Cc1ccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is JISSWVLGRLTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-13-7-9-14(10-8-13)11-17-21-16-12-24(15-5-3-2-4-6-15)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 315.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).