3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H20N4O2 — CID 2992448

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(N)c(-c4ccccc4)cnc23)cc1OC
InChIInChI=1S/C21H20N4O2/c1-13-19(15-9-10-17(26-2)18(11-15)27-3)21-23-12-16(20(22)25(21)24-13)14-7-5-4-6-8-14/h4-12H,22H2,1-3H3
InChIKeyYZVQNEKMBMVZRT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.97
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2992448) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2992448
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(N)c(-c4ccccc4)cnc23)cc1OC
InChIInChI=1S/C21H20N4O2/c1-13-19(15-9-10-17(26-2)18(11-15)27-3)21-23-12-16(20(22)25(21)24-13)14-7-5-4-6-8-14/h4-12H,22H2,1-3H3
InChIKeyYZVQNEKMBMVZRT-UHFFFAOYSA-N
XLogP3.97
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2992448) is 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(N)c(-c4ccccc4)cnc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YZVQNEKMBMVZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-19(15-9-10-17(26-2)18(11-15)27-3)21-23-12-16(20(22)25(21)24-13)14-7-5-4-6-8-14/h4-12H,22H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 360.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2992448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).