3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C18H19ClN4 — CID 666939

IUPAC3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C18H19ClN4/c1-13-11-17(22-9-3-2-4-10-22)23-18(21-13)16(12-20-23)14-5-7-15(19)8-6-14/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyMRDLFDKOGBTWEJ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.35
Rot. Bonds2

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

3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 666939) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID666939
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C18H19ClN4/c1-13-11-17(22-9-3-2-4-10-22)23-18(21-13)16(12-20-23)14-5-7-15(19)8-6-14/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyMRDLFDKOGBTWEJ-UHFFFAOYSA-N
XLogP4.35
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 666939) is 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCCC2)n2ncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MRDLFDKOGBTWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-13-11-17(22-9-3-2-4-10-22)23-18(21-13)16(12-20-23)14-5-7-15(19)8-6-14/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 326.83 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 666939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).