[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

C20H16ClF3N4O — CID 57458691

IUPAC[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC(c2ccncc2)C1
InChIInChI=1S/C20H16ClF3N4O/c21-15-3-1-2-4-16(15)28-17(11-18(26-28)20(22,23)24)19(29)27-10-7-14(12-27)13-5-8-25-9-6-13/h1-6,8-9,11,14H,7,10,12H2
InChIKeyPDFHIIIWWGLUBK-UHFFFAOYSA-N
MW420.82 g/mol
LogP4.57
Rot. Bonds3

About [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 57458691) has the molecular formula C20H16ClF3N4O and a molecular weight of 420.82 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID57458691
Molecular FormulaC20H16ClF3N4O
Molecular Weight420.82 g/mol
Exact Mass420.10
IUPAC Name[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC(c2ccncc2)C1
InChIInChI=1S/C20H16ClF3N4O/c21-15-3-1-2-4-16(15)28-17(11-18(26-28)20(22,23)24)19(29)27-10-7-14(12-27)13-5-8-25-9-6-13/h1-6,8-9,11,14H,7,10,12H2
InChIKeyPDFHIIIWWGLUBK-UHFFFAOYSA-N
XLogP4.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-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

[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 57458673
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 57458707
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 57458674
ethyl 1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidine-2-carboxylate
CID 59240234
1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 57458606
1-(2-chlorophenyl)-N-(5-methyl-1-propan-2-yl-3,4-dihydro-2H-pyridin-4-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 67184829
ethyl 1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 59240163
1-(2-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 71094273
2-[(3R)-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136763979
2-[1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881629
[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-(1,4-diazepan-1-yl)methanone
CID 59632436
N-(4-bromophenyl)-1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 59240027

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 57458691) is [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC(c2ccncc2)C1.
What is the InChIKey of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is PDFHIIIWWGLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O/c21-15-3-1-2-4-16(15)28-17(11-18(26-28)20(22,23)24)19(29)27-10-7-14(12-27)13-5-8-25-9-6-13/h1-6,8-9,11,14H,7,10,12H2.
What are the key properties of [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone?
[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 420.82 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 57458691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).