[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone

C17H18F3N3O — CID 58955857

IUPAC[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCn1nc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O/c1-22-15(17(18,19)20)11-14(21-22)12-5-7-13(8-6-12)16(24)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3
InChIKeyFIXBSSPLJGNJIU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.73
Rot. Bonds2

About [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone

[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 58955857) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID58955857
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone
SMILESCn1nc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H18F3N3O/c1-22-15(17(18,19)20)11-14(21-22)12-5-7-13(8-6-12)16(24)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3
InChIKeyFIXBSSPLJGNJIU-UHFFFAOYSA-N
XLogP3.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone 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

azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955900
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[3-bromo-5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1111276
azocan-1-yl-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone
CID 163892823
[4-bromo-3-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 81425967
[4-(1-methyltetrazol-5-yl)phenyl]-piperidin-1-ylmethanone
CID 71688434
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,2-oxazole
CID 69395912
[4-(1-methyl-3-phenylpyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 166374697
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
CID 1111010

Frequently Asked Questions

What is the IUPAC name of [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone (CID 58955857) is [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone is Cn1nc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(F)(F)F.
What is the InChIKey of [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is FIXBSSPLJGNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-22-15(17(18,19)20)11-14(21-22)12-5-7-13(8-6-12)16(24)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone?
[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 337.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 58955857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).