JVLWADLBPRYBBF-UHFFFAOYSA-N

Name: JVLWADLBPRYBBF-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₉F₃N₄O₃ — CID 118239014

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one

SMILESCOc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1

InChIInChI=1S/C21H19F3N4O3/c1-30-19-10-16(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-17(9-14)31-21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26)

InChIKeyJVLWADLBPRYBBF-UHFFFAOYSA-N

MW432.40 g/mol

LogP4.43

Rot. Bonds6

About JVLWADLBPRYBBF-UHFFFAOYSA-N

JVLWADLBPRYBBF-UHFFFAOYSA-N (PubChem CID 118239014) has the molecular formula C₂₁H₁₉F₃N₄O₃ and a molecular weight of 432.40 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name	JVLWADLBPRYBBF-UHFFFAOYSA-N
PubChem CID	118239014
Molecular Formula	C₂₁H₁₉F₃N₄O₃
Molecular Weight	432.40 g/mol
Exact Mass	432.14
IUPAC Name	1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one
SMILES	COc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1
InChI	InChI=1S/C21H19F3N4O3/c1-30-19-10-16(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-17(9-14)31-21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26)
InChIKey	JVLWADLBPRYBBF-UHFFFAOYSA-N
XLogP	4.43
TPSA	70.69 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.40
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of JVLWADLBPRYBBF-UHFFFAOYSA-N?

The IUPAC name of JVLWADLBPRYBBF-UHFFFAOYSA-N (CID 118239014) is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[[3-(trifluoromethoxy)phenyl]methyl]imidazolidin-2-one.

What is the SMILES notation for JVLWADLBPRYBBF-UHFFFAOYSA-N?

The canonical SMILES for JVLWADLBPRYBBF-UHFFFAOYSA-N is COc1cc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)ccc1-c1cn[nH]c1.

What is the InChIKey of JVLWADLBPRYBBF-UHFFFAOYSA-N?

The InChIKey is JVLWADLBPRYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-30-19-10-16(5-6-18(19)15-11-25-26-12-15)28-8-7-27(20(28)29)13-14-3-2-4-17(9-14)31-21(22,23)24/h2-6,9-12H,7-8,13H2,1H3,(H,25,26).

What are the key properties of JVLWADLBPRYBBF-UHFFFAOYSA-N?

JVLWADLBPRYBBF-UHFFFAOYSA-N has a molecular weight of 432.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for JVLWADLBPRYBBF-UHFFFAOYSA-N is sourced from PubChem (CID 118239014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118239014 — identifiers, structure, computed properties (public domain)

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