3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one

C19H20F3N3O2 — CID 42286062

IUPAC3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)16-6-4-14(5-7-16)18(27)15-3-1-10-24(13-15)17(26)8-12-25-11-2-9-23-25/h2,4-7,9,11,15H,1,3,8,10,12-13H2/t15-/m1/s1
InChIKeyMRYFYEBUSKCWMI-OAHLLOKOSA-N
MW379.38 g/mol
LogP3.41
Rot. Bonds5

About 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one

3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one (PubChem CID 42286062) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
PubChem CID42286062
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)16-6-4-14(5-7-16)18(27)15-3-1-10-24(13-15)17(26)8-12-25-11-2-9-23-25/h2,4-7,9,11,15H,1,3,8,10,12-13H2/t15-/m1/s1
InChIKeyMRYFYEBUSKCWMI-OAHLLOKOSA-N
XLogP3.41
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
ethyl 2-[[3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]amino]acetate
CID 45232941
[1-(1-benzylpyrazole-4-carbonyl)piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 45211487
2-amino-2-methyl-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 72850239
3-pyrazol-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615571
3-pyrazol-1-yl-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615570
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[(3R)-3-(4-tert-butylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 42096263
1-[4-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 25308165
[1-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 56867810
N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 45206398
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612

Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one (CID 42286062) is 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one is O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCn2cccn2)C1.
What is the InChIKey of 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
The InChIKey is MRYFYEBUSKCWMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)16-6-4-14(5-7-16)18(27)15-3-1-10-24(13-15)17(26)8-12-25-11-2-9-23-25/h2,4-7,9,11,15H,1,3,8,10,12-13H2/t15-/m1/s1.
What are the key properties of 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one?
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one has a molecular weight of 379.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 42286062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).