[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

C18H18F3N3O2 — CID 24793881

IUPAC[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)n[nH]1
InChIInChI=1S/C18H18F3N3O2/c1-11-8-15(23-22-11)17(26)24-7-3-5-13(10-24)16(25)12-4-2-6-14(9-12)18(19,20)21/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,22,23)
InChIKeyDQVACQHDWMQWBA-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.47
Rot. Bonds3

About [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone

[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 24793881) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID24793881
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)n[nH]1
InChIInChI=1S/C18H18F3N3O2/c1-11-8-15(23-22-11)17(26)24-7-3-5-13(10-24)16(25)12-4-2-6-14(9-12)18(19,20)21/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,22,23)
InChIKeyDQVACQHDWMQWBA-UHFFFAOYSA-N
XLogP3.47
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 24793881) is [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1cc(C(=O)N2CCCC(C(=O)c3cccc(C(F)(F)F)c3)C2)n[nH]1.
What is the InChIKey of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DQVACQHDWMQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-8-15(23-22-11)17(26)24-7-3-5-13(10-24)16(25)12-4-2-6-14(9-12)18(19,20)21/h2,4,6,8-9,13H,3,5,7,10H2,1H3,(H,22,23).
What are the key properties of [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone?
[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 365.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 24793881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).