4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide

C20H24ClN3O2 — CID 46136058

IUPAC4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-14(2)22-18(25)8-9-19(26)24-12-11-23-10-4-7-17(23)20(24)15-5-3-6-16(21)13-15/h3-7,10,13-14,20H,8-9,11-12H2,1-2H3,(H,22,25)
InChIKeyPJJPXMOLJBXBKF-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.38
Rot. Bonds5

About 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide

4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide (PubChem CID 46136058) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
PubChem CID46136058
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-14(2)22-18(25)8-9-19(26)24-12-11-23-10-4-7-17(23)20(24)15-5-3-6-16(21)13-15/h3-7,10,13-14,20H,8-9,11-12H2,1-2H3,(H,22,25)
InChIKeyPJJPXMOLJBXBKF-UHFFFAOYSA-N
XLogP3.38
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide?
The IUPAC name of 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide (CID 46136058) is 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide?
The canonical SMILES for 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide is CC(C)NC(=O)CCC(=O)N1CCn2cccc2C1c1cccc(Cl)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide?
The InChIKey is PJJPXMOLJBXBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14(2)22-18(25)8-9-19(26)24-12-11-23-10-4-7-17(23)20(24)15-5-3-6-16(21)13-15/h3-7,10,13-14,20H,8-9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide?
4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide has a molecular weight of 373.88 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide is sourced from PubChem (CID 46136058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).