SCNBYTKMPRQMNM-UHFFFAOYSA-N

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

C₁₈H₁₉ClF₃N₅O₂ — CID 118023302

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

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide

SMILESCCN(C(=O)CC1CCN(CC(F)(F)F)C1=O)c1cn(-c2cccnc2)nc1Cl

InChIInChI=1S/C18H19ClF3N5O2/c1-2-26(14-10-27(24-16(14)19)13-4-3-6-23-9-13)15(28)8-12-5-7-25(17(12)29)11-18(20,21)22/h3-4,6,9-10,12H,2,5,7-8,11H2,1H3

InChIKeySCNBYTKMPRQMNM-UHFFFAOYSA-N

MW429.83 g/mol

LogP3.07

Rot. Bonds6

About SCNBYTKMPRQMNM-UHFFFAOYSA-N

SCNBYTKMPRQMNM-UHFFFAOYSA-N (PubChem CID 118023302) has the molecular formula C₁₈H₁₉ClF₃N₅O₂ and a molecular weight of 429.83 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name	SCNBYTKMPRQMNM-UHFFFAOYSA-N
PubChem CID	118023302
Molecular Formula	C₁₈H₁₉ClF₃N₅O₂
Molecular Weight	429.83 g/mol
Exact Mass	429.12
IUPAC Name	N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
SMILES	CCN(C(=O)CC1CCN(CC(F)(F)F)C1=O)c1cn(-c2cccnc2)nc1Cl
InChI	InChI=1S/C18H19ClF3N5O2/c1-2-26(14-10-27(24-16(14)19)13-4-3-6-23-9-13)15(28)8-12-5-7-25(17(12)29)11-18(20,21)22/h3-4,6,9-10,12H,2,5,7-8,11H2,1H3
InChIKey	SCNBYTKMPRQMNM-UHFFFAOYSA-N
XLogP	3.07
TPSA	71.33 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.83
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of SCNBYTKMPRQMNM-UHFFFAOYSA-N (CID 118023302) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide.

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

The canonical SMILES for SCNBYTKMPRQMNM-UHFFFAOYSA-N is CCN(C(=O)CC1CCN(CC(F)(F)F)C1=O)c1cn(-c2cccnc2)nc1Cl.

What is the InChIKey of SCNBYTKMPRQMNM-UHFFFAOYSA-N?

The InChIKey is SCNBYTKMPRQMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N5O2/c1-2-26(14-10-27(24-16(14)19)13-4-3-6-23-9-13)15(28)8-12-5-7-25(17(12)29)11-18(20,21)22/h3-4,6,9-10,12H,2,5,7-8,11H2,1H3.

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

SCNBYTKMPRQMNM-UHFFFAOYSA-N has a molecular weight of 429.83 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SCNBYTKMPRQMNM-UHFFFAOYSA-N is sourced from PubChem (CID 118023302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118023302 — identifiers, structure, computed properties (public domain)

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