[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C15H18F3N5O — CID 164637898

IUPAC[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1cc([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-21-8-11(7-19-21)10-4-3-5-23(9-10)14(24)12-6-13(15(16,17)18)22(2)20-12/h6-8,10H,3-5,9H2,1-2H3/t10-/m0/s1
InChIKeyHWCLACNHPMTFFV-JTQLQIEISA-N
MW341.34 g/mol
LogP2.19
Rot. Bonds2

About [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 164637898) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID164637898
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1cc([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)cn1
InChIInChI=1S/C15H18F3N5O/c1-21-8-11(7-19-21)10-4-3-5-23(9-10)14(24)12-6-13(15(16,17)18)22(2)20-12/h6-8,10H,3-5,9H2,1-2H3/t10-/m0/s1
InChIKeyHWCLACNHPMTFFV-JTQLQIEISA-N
XLogP2.19
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 164637898) is [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cn1cc([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)n(C)n3)C2)cn1.
What is the InChIKey of [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is HWCLACNHPMTFFV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-21-8-11(7-19-21)10-4-3-5-23(9-10)14(24)12-6-13(15(16,17)18)22(2)20-12/h6-8,10H,3-5,9H2,1-2H3/t10-/m0/s1.
What are the key properties of [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 341.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 164637898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).