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

C18H15N5O — CID 71601783

IUPAC2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(-n2cc3nc(-c4ccccc4)nc(N)c3n2)cc1
InChIInChI=1S/C18H15N5O/c1-24-14-9-7-13(8-10-14)23-11-15-16(22-23)17(19)21-18(20-15)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20,21)
InChIKeyYXEMTTSUPLSCHV-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.07
Rot. Bonds3

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

2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 71601783) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID71601783
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1ccc(-n2cc3nc(-c4ccccc4)nc(N)c3n2)cc1
InChIInChI=1S/C18H15N5O/c1-24-14-9-7-13(8-10-14)23-11-15-16(22-23)17(19)21-18(20-15)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20,21)
InChIKeyYXEMTTSUPLSCHV-UHFFFAOYSA-N
XLogP3.07
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine (CID 71601783) is 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine is COc1ccc(-n2cc3nc(-c4ccccc4)nc(N)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is YXEMTTSUPLSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-14-9-7-13(8-10-14)23-11-15-16(22-23)17(19)21-18(20-15)12-5-3-2-4-6-12/h2-11H,1H3,(H2,19,20,21).
What are the key properties of 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine?
2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 317.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-phenylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 71601783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).