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

C18H19ClF3N5O2 — CID 118023302

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

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (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 NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
PubChem CID118023302
Molecular FormulaC18H19ClF3N5O2
Molecular Weight429.83 g/mol
Exact Mass429.12
IUPAC NameN-(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
XLogP3.07
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide (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 N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is CCN(C(=O)CC1CCN(CC(F)(F)F)C1=O)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
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 N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide 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 N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-2-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 118023302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).