[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone

C24H29F3N4O — CID 141241506

IUPAC[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone
SMILESCN(C)C1(C(=O)N2CC(c3ccc(C(F)(F)F)cc3)CC(c3cc(C4CC4)[nH]n3)C2)CC1
InChIInChI=1S/C24H29F3N4O/c1-30(2)23(9-10-23)22(32)31-13-17(15-5-7-19(8-6-15)24(25,26)27)11-18(14-31)21-12-20(28-29-21)16-3-4-16/h5-8,12,16-18H,3-4,9-11,13-14H2,1-2H3,(H,28,29)
InChIKeyLAXLGCWCBUXEQY-UHFFFAOYSA-N
MW446.52 g/mol
LogP4.50
Rot. Bonds5

About [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone

[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone (PubChem CID 141241506) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone
PubChem CID141241506
Molecular FormulaC24H29F3N4O
Molecular Weight446.52 g/mol
Exact Mass446.23
IUPAC Name[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone
SMILESCN(C)C1(C(=O)N2CC(c3ccc(C(F)(F)F)cc3)CC(c3cc(C4CC4)[nH]n3)C2)CC1
InChIInChI=1S/C24H29F3N4O/c1-30(2)23(9-10-23)22(32)31-13-17(15-5-7-19(8-6-15)24(25,26)27)11-18(14-31)21-12-20(28-29-21)16-3-4-16/h5-8,12,16-18H,3-4,9-11,13-14H2,1-2H3,(H,28,29)
InChIKeyLAXLGCWCBUXEQY-UHFFFAOYSA-N
XLogP4.50
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]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

[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241638
[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 141382651
1-[3-[5-(1-cyclopropylpiperidin-4-yl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 141241370
(3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241626
tert-butyl (2S)-2-[3-[(3S,5S)-1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]-1H-pyrazol-5-yl]pyrrolidine-1-carboxylate
CID 141241322
(2,2-dimethylmorpholin-4-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241494
[3-[3-(2-aminopropan-2-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone;hydrochloride
CID 141241347
(4-hydroxypiperidin-1-yl)-[3-(3-pyridin-4-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241584
[3-(3-amino-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141402692
morpholin-4-yl-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 141241384
[3-[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241452
[3-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241343

Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone?
The IUPAC name of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone (CID 141241506) is [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone.
What is the SMILES notation for [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone?
The canonical SMILES for [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone is CN(C)C1(C(=O)N2CC(c3ccc(C(F)(F)F)cc3)CC(c3cc(C4CC4)[nH]n3)C2)CC1.
What is the InChIKey of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone?
The InChIKey is LAXLGCWCBUXEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c1-30(2)23(9-10-23)22(32)31-13-17(15-5-7-19(8-6-15)24(25,26)27)11-18(14-31)21-12-20(28-29-21)16-3-4-16/h5-8,12,16-18H,3-4,9-11,13-14H2,1-2H3,(H,28,29).
What are the key properties of [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone?
[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone has a molecular weight of 446.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-[1-(dimethylamino)cyclopropyl]methanone is sourced from PubChem (CID 141241506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).