2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine

C18H20N4 — CID 110244538

IUPAC2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3nccc(C4CCNCC4)n3n2)c1
InChIInChI=1S/C18H20N4/c1-13-3-2-4-15(11-13)16-12-18-20-10-7-17(22(18)21-16)14-5-8-19-9-6-14/h2-4,7,10-12,14,19H,5-6,8-9H2,1H3
InChIKeyFPHKTICPSCWXQZ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.17
Rot. Bonds2

About 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine

2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 110244538) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID110244538
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3nccc(C4CCNCC4)n3n2)c1
InChIInChI=1S/C18H20N4/c1-13-3-2-4-15(11-13)16-12-18-20-10-7-17(22(18)21-16)14-5-8-19-9-6-14/h2-4,7,10-12,14,19H,5-6,8-9H2,1H3
InChIKeyFPHKTICPSCWXQZ-UHFFFAOYSA-N
XLogP3.17
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine (CID 110244538) is 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine is Cc1cccc(-c2cc3nccc(C4CCNCC4)n3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FPHKTICPSCWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-3-2-4-15(11-13)16-12-18-20-10-7-17(22(18)21-16)14-5-8-19-9-6-14/h2-4,7,10-12,14,19H,5-6,8-9H2,1H3.
What are the key properties of 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine?
2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 292.39 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-piperidin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 110244538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).