3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C21H20N4 — CID 50746549

IUPAC3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)c1
InChIInChI=1S/C21H20N4/c1-14-8-7-11-18(12-14)23-19-13-15(2)22-21-16(3)20(24-25(19)21)17-9-5-4-6-10-17/h4-13,23H,1-3H3
InChIKeyOGGIFJQYEQMXBU-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.07
Rot. Bonds3

About 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine

3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 50746549) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID50746549
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)c1
InChIInChI=1S/C21H20N4/c1-14-8-7-11-18(12-14)23-19-13-15(2)22-21-16(3)20(24-25(19)21)17-9-5-4-6-10-17/h4-13,23H,1-3H3
InChIKeyOGGIFJQYEQMXBU-UHFFFAOYSA-N
XLogP5.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 50746549) is 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(Nc2cc(C)nc3c(C)c(-c4ccccc4)nn23)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OGGIFJQYEQMXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-8-7-11-18(12-14)23-19-13-15(2)22-21-16(3)20(24-25(19)21)17-9-5-4-6-10-17/h4-13,23H,1-3H3.
What are the key properties of 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 50746549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).