3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C20H24N4 — CID 46299280

IUPAC3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2nn3c(N4CCCCC4)cc(C)nc3c2C)c1
InChIInChI=1S/C20H24N4/c1-14-8-7-9-17(12-14)19-16(3)20-21-15(2)13-18(24(20)22-19)23-10-5-4-6-11-23/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyQJABBNNSOAFHPH-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.31
Rot. Bonds2

About 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 46299280) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID46299280
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2nn3c(N4CCCCC4)cc(C)nc3c2C)c1
InChIInChI=1S/C20H24N4/c1-14-8-7-9-17(12-14)19-16(3)20-21-15(2)13-18(24(20)22-19)23-10-5-4-6-11-23/h7-9,12-13H,4-6,10-11H2,1-3H3
InChIKeyQJABBNNSOAFHPH-UHFFFAOYSA-N
XLogP4.31
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 46299280) is 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cccc(-c2nn3c(N4CCCCC4)cc(C)nc3c2C)c1.
What is the InChIKey of 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is QJABBNNSOAFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-8-7-9-17(12-14)19-16(3)20-21-15(2)13-18(24(20)22-19)23-10-5-4-6-11-23/h7-9,12-13H,4-6,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 320.44 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(3-methylphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).