4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

C20H24N4O2 — CID 71830388

IUPAC4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(N2CC(C(=O)N3CCc4ccccc4C3)CC2=O)cn1
InChIInChI=1S/C20H24N4O2/c1-14(2)24-13-18(10-21-24)23-12-17(9-19(23)25)20(26)22-8-7-15-5-3-4-6-16(15)11-22/h3-6,10,13-14,17H,7-9,11-12H2,1-2H3
InChIKeyVBYVJQORHYUDNP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.40
Rot. Bonds3

About 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 71830388) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID71830388
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)n1cc(N2CC(C(=O)N3CCc4ccccc4C3)CC2=O)cn1
InChIInChI=1S/C20H24N4O2/c1-14(2)24-13-18(10-21-24)23-12-17(9-19(23)25)20(26)22-8-7-15-5-3-4-6-16(15)11-22/h3-6,10,13-14,17H,7-9,11-12H2,1-2H3
InChIKeyVBYVJQORHYUDNP-UHFFFAOYSA-N
XLogP2.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (CID 71830388) is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is CC(C)n1cc(N2CC(C(=O)N3CCc4ccccc4C3)CC2=O)cn1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is VBYVJQORHYUDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(2)24-13-18(10-21-24)23-12-17(9-19(23)25)20(26)22-8-7-15-5-3-4-6-16(15)11-22/h3-6,10,13-14,17H,7-9,11-12H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71830388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).