2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine

C19H21ClN4 — CID 122620023

IUPAC2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2)n2nc(Cc3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C19H21ClN4/c1-14-11-19(23-9-3-2-4-10-23)24-18(21-14)13-17(22-24)12-15-5-7-16(20)8-6-15/h5-8,11,13H,2-4,9-10,12H2,1H3
InChIKeyBMCYSPXONGHEED-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.27
Rot. Bonds3

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

2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 122620023) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID122620023
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCCC2)n2nc(Cc3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C19H21ClN4/c1-14-11-19(23-9-3-2-4-10-23)24-18(21-14)13-17(22-24)12-15-5-7-16(20)8-6-15/h5-8,11,13H,2-4,9-10,12H2,1H3
InChIKeyBMCYSPXONGHEED-UHFFFAOYSA-N
XLogP4.27
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine (CID 122620023) is 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCCCC2)n2nc(Cc3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BMCYSPXONGHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c1-14-11-19(23-9-3-2-4-10-23)24-18(21-14)13-17(22-24)12-15-5-7-16(20)8-6-15/h5-8,11,13H,2-4,9-10,12H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine?
2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 340.86 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122620023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).