2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

C22H27ClN4 — CID 122620062

IUPAC2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCC[C@@H]1CCCCN1c1cc(C)nc2cc(C(C)c3ccc(Cl)cc3)nn12
InChIInChI=1S/C22H27ClN4/c1-4-19-7-5-6-12-26(19)22-13-15(2)24-21-14-20(25-27(21)22)16(3)17-8-10-18(23)11-9-17/h8-11,13-14,16,19H,4-7,12H2,1-3H3/t16?,19-/m1/s1
InChIKeyNVYXXYSXMAEOFD-LRTDYKAYSA-N
MW382.94 g/mol
LogP5.61
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine

2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 122620062) has the molecular formula C22H27ClN4 and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID122620062
Molecular FormulaC22H27ClN4
Molecular Weight382.94 g/mol
Exact Mass382.19
IUPAC Name2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCC[C@@H]1CCCCN1c1cc(C)nc2cc(C(C)c3ccc(Cl)cc3)nn12
InChIInChI=1S/C22H27ClN4/c1-4-19-7-5-6-12-26(19)22-13-15(2)24-21-14-20(25-27(21)22)16(3)17-8-10-18(23)11-9-17/h8-11,13-14,16,19H,4-7,12H2,1-3H3/t16?,19-/m1/s1
InChIKeyNVYXXYSXMAEOFD-LRTDYKAYSA-N
XLogP5.61
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine (CID 122620062) is 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is CC[C@@H]1CCCCN1c1cc(C)nc2cc(C(C)c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NVYXXYSXMAEOFD-LRTDYKAYSA-N. The full InChI is InChI=1S/C22H27ClN4/c1-4-19-7-5-6-12-26(19)22-13-15(2)24-21-14-20(25-27(21)22)16(3)17-8-10-18(23)11-9-17/h8-11,13-14,16,19H,4-7,12H2,1-3H3/t16?,19-/m1/s1.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine?
2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 382.94 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl]-7-[(2R)-2-ethylpiperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122620062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).