(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H13ClF3N3O — CID 114669350

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H13ClF3N3O/c1-2-18-8(7(12)5-17-18)9(19)10(11(13,14)15)3-4-16-6-10/h5,16H,2-4,6H2,1H3
InChIKeyWKXSDYAUEAPUAO-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.28
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 114669350) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID114669350
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H13ClF3N3O/c1-2-18-8(7(12)5-17-18)9(19)10(11(13,14)15)3-4-16-6-10/h5,16H,2-4,6H2,1H3
InChIKeyWKXSDYAUEAPUAO-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572792
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
[1-(aminomethyl)cyclobutyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670668
pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572790
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
CID 114669093
(1-ethyl-4-methoxypyrazol-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 114669215
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 114642779
(2-amino-5-chloro-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572851
1-(4-chloro-1-ethylpyrazol-5-yl)prop-2-en-1-one
CID 103453544

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 114669350) is (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is CCn1ncc(Cl)c1C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is WKXSDYAUEAPUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-2-18-8(7(12)5-17-18)9(19)10(11(13,14)15)3-4-16-6-10/h5,16H,2-4,6H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 295.69 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 114669350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).