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

C11H14F3N3O — CID 129367196

IUPAC(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7-5-9(16-15-7)10(18)17-4-2-3-8(6-17)11(12,13)14/h5,8H,2-4,6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyJGKSGUVBOFSGQG-MRVPVSSYSA-N
MW261.25 g/mol
LogP2.13
Rot. Bonds1

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

(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 129367196) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID129367196
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7-5-9(16-15-7)10(18)17-4-2-3-8(6-17)11(12,13)14/h5,8H,2-4,6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyJGKSGUVBOFSGQG-MRVPVSSYSA-N
XLogP2.13
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
(5-methyl-1H-pyrazol-3-yl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 119102453
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
(3-bromo-5-fluoro-4-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 176513305
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161377
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 126821129

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 129367196) is (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is JGKSGUVBOFSGQG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-5-9(16-15-7)10(18)17-4-2-3-8(6-17)11(12,13)14/h5,8H,2-4,6H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 261.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 129367196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).