2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C19H16N4O — CID 754802

IUPAC2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1
InChIInChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)17-11-18-21-12-16(19(20)23(18)22-17)13-5-3-2-4-6-13/h2-12H,20H2,1H3
InChIKeyQIZHUCDHASBYII-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 754802) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID754802
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1
InChIInChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)17-11-18-21-12-16(19(20)23(18)22-17)13-5-3-2-4-6-13/h2-12H,20H2,1H3
InChIKeyQIZHUCDHASBYII-UHFFFAOYSA-N
XLogP3.65
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 754802) is 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cc3ncc(-c4ccccc4)c(N)n3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QIZHUCDHASBYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)17-11-18-21-12-16(19(20)23(18)22-17)13-5-3-2-4-6-13/h2-12H,20H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 316.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 754802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).