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

C19H17N5O — CID 118708220

IUPAC5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1cccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C19H17N5O/c1-25-15-9-5-6-13(10-15)11-17-21-16-12-24(14-7-3-2-4-8-14)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyPBMYJLFBUPGSTI-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.00
Rot. Bonds4

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

5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 118708220) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID118708220
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1cccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)c1
InChIInChI=1S/C19H17N5O/c1-25-15-9-5-6-13(10-15)11-17-21-16-12-24(14-7-3-2-4-8-14)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22)
InChIKeyPBMYJLFBUPGSTI-UHFFFAOYSA-N
XLogP3.00
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 118708220) is 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1cccc(Cc2nc(N)c3nn(-c4ccccc4)cc3n2)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is PBMYJLFBUPGSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-25-15-9-5-6-13(10-15)11-17-21-16-12-24(14-7-3-2-4-8-14)23-18(16)19(20)22-17/h2-10,12H,11H2,1H3,(H2,20,21,22).
What are the key properties of 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 331.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)methyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 118708220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).