3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H18N4O — CID 23604754

IUPAC3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nn2c(N)c(-c3ccccc3)cnc12
InChIInChI=1S/C20H18N4O/c1-13-18(15-10-6-7-11-17(15)25-2)20-22-12-16(19(21)24(20)23-13)14-8-4-3-5-9-14/h3-12H,21H2,1-2H3
InChIKeyWPLYMKTZGMFOJZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.96
Rot. Bonds3

About 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 23604754) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID23604754
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nn2c(N)c(-c3ccccc3)cnc12
InChIInChI=1S/C20H18N4O/c1-13-18(15-10-6-7-11-17(15)25-2)20-22-12-16(19(21)24(20)23-13)14-8-4-3-5-9-14/h3-12H,21H2,1-2H3
InChIKeyWPLYMKTZGMFOJZ-UHFFFAOYSA-N
XLogP3.96
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 1-[trans-4-(4-Methyl-1-piperazinyl)cyclohexyl]-3-(4-phenoxyphenyl)-
CID 6539953
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
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CID 56835771
1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
Pci 29732
CID 22347110
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CID 5329337

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 23604754) is 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1c(C)nn2c(N)c(-c3ccccc3)cnc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WPLYMKTZGMFOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-18(15-10-6-7-11-17(15)25-2)20-22-12-16(19(21)24(20)23-13)14-8-4-3-5-9-14/h3-12H,21H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 23604754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).