3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C20H23ClN4 — CID 3780508

IUPAC3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H23ClN4/c1-13-8-10-24(11-9-13)18-12-14(2)22-20-19(15(3)23-25(18)20)16-4-6-17(21)7-5-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyJKZZKHNOWJOXOA-UHFFFAOYSA-N
MW354.89 g/mol
LogP4.90
Rot. Bonds2

About 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3780508) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID3780508
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H23ClN4/c1-13-8-10-24(11-9-13)18-12-14(2)22-20-19(15(3)23-25(18)20)16-4-6-17(21)7-5-16/h4-7,12-13H,8-11H2,1-3H3
InChIKeyJKZZKHNOWJOXOA-UHFFFAOYSA-N
XLogP4.90
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 3780508) is 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCC(C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is JKZZKHNOWJOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-13-8-10-24(11-9-13)18-12-14(2)22-20-19(15(3)23-25(18)20)16-4-6-17(21)7-5-16/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 354.89 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3780508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).