1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C10H12F3N3O — CID 42959182

IUPAC1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)9(17)8-3-4-14-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyVIEMGMBRZNRVFU-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.82
Rot. Bonds1

About 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 42959182) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID42959182
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)9(17)8-3-4-14-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyVIEMGMBRZNRVFU-UHFFFAOYSA-N
XLogP1.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 42959182) is 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VIEMGMBRZNRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)9(17)8-3-4-14-15-8/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 247.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42959182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).