N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C27H30ClN5O3 — CID 122445904

About N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122445904) has the molecular formula C27H30ClN5O3 and a molecular weight of 508.02 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 122445904
• Molecular Formula: C27H30ClN5O3
• Molecular Weight: 508.02 g/mol
• Exact Mass: 507.20
• IUPAC Name: N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cc(CCc2ccc(Cl)cc2)[nH]n1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
• InChI: InChI=1S/C27H30ClN5O3/c28-22-6-1-19(2-7-22)3-8-23-16-25(31-30-23)29-27(35)21-15-26(34)33(18-21)24-9-4-20(5-10-24)17-32-11-13-36-14-12-32/h1-2,4-7,9-10,16,21H,3,8,11-15,17-18H2,(H2,29,30,31,35)
• InChIKey: GPTWHIVETVNLRH-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.02
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 122445904) is N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(CCc2ccc(Cl)cc2)[nH]n1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1.

What is the InChIKey of N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is GPTWHIVETVNLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O3/c28-22-6-1-19(2-7-22)3-8-23-16-25(31-30-23)29-27(35)21-15-26(34)33(18-21)24-9-4-20(5-10-24)17-32-11-13-36-14-12-32/h1-2,4-7,9-10,16,21H,3,8,11-15,17-18H2,(H2,29,30,31,35).

What are the key properties of N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide?

N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 508.02 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(4-chlorophenyl)ethyl]-1H-pyrazol-3-yl]-1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122445904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).