(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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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).