piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

C10H12F3N3O — CID 118531147

IUPACpiperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCCCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-6-14-16(7-8)9(17)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKeyMVMBVBVTVJKSIE-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.36
Rot. Bonds

About piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone

piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (PubChem CID 118531147) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
PubChem CID118531147
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Namepiperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
SMILESO=C(N1CCCCC1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-6-14-16(7-8)9(17)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKeyMVMBVBVTVJKSIE-UHFFFAOYSA-N
XLogP2.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Serine Hydrolase Inhibitor-10
CID 89785475
Serine Hydrolase Inhibitor-11
CID 89847041
1-(Piperidine-1-carbonyl)pyrazole-4-carbonitrile
CID 118526750
Piperazin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526410
1-[4-[4-(Trifluoromethyl)pyrazole-1-carbonyl]piperazin-1-yl]ethanone
CID 118526571
Morpholin-4-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526616
Tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]piperazine-1-carboxylate
CID 118526630
(4-Methyl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526639
Pyrrolidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526681
(4-Methylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526683
N-[2-[acetyl(methyl)amino]ethyl]-N-methyl-4-(trifluoromethyl)pyrazole-1-carboxamide
CID 118526777
(4-Methylsulfonylpiperazin-1-yl)-[4-(trifluoromethyl)pyrazol-1-yl]methanone
CID 118526845

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The IUPAC name of piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone (CID 118531147) is piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is O=C(N1CCCCC1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
The InChIKey is MVMBVBVTVJKSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-6-14-16(7-8)9(17)15-4-2-1-3-5-15/h6-7H,1-5H2.
What are the key properties of piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone?
piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone has a molecular weight of 247.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(trifluoromethyl)pyrazol-1-yl]methanone is sourced from PubChem (CID 118531147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).