[1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C21H19ClF3N5O2 — CID 57458703

IUPAC[1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)C1
InChIInChI=1S/C21H19ClF3N5O2/c1-28-10-8-26-19(28)18(31)13-5-4-9-29(12-13)20(32)16-11-17(21(23,24)25)27-30(16)15-7-3-2-6-14(15)22/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3
InChIKeyCDCKBYYJIRFFMJ-UHFFFAOYSA-N
MW465.86 g/mol
LogP4.01
Rot. Bonds4

About [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 57458703) has the molecular formula C21H19ClF3N5O2 and a molecular weight of 465.86 g/mol. Its IUPAC name is [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID57458703
Molecular FormulaC21H19ClF3N5O2
Molecular Weight465.86 g/mol
Exact Mass465.12
IUPAC Name[1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)C1
InChIInChI=1S/C21H19ClF3N5O2/c1-28-10-8-26-19(28)18(31)13-5-4-9-29(12-13)20(32)16-11-17(21(23,24)25)27-30(16)15-7-3-2-6-14(15)22/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3
InChIKeyCDCKBYYJIRFFMJ-UHFFFAOYSA-N
XLogP4.01
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-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

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 57458703) is [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)C1.
What is the InChIKey of [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is CDCKBYYJIRFFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O2/c1-28-10-8-26-19(28)18(31)13-5-4-9-29(12-13)20(32)16-11-17(21(23,24)25)27-30(16)15-7-3-2-6-14(15)22/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3.
What are the key properties of [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 465.86 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 57458703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).