2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone

C20H24FN3O2 — CID 91915292

IUPAC2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)c2c1CCOC2
InChIInChI=1S/C20H24FN3O2/c1-23-18-7-10-26-13-17(18)20(22-23)15-5-8-24(9-6-15)19(25)12-14-3-2-4-16(21)11-14/h2-4,11,15H,5-10,12-13H2,1H3
InChIKeyPSHLMBLUCLLNNM-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.58
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 91915292) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID91915292
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCn1nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)c2c1CCOC2
InChIInChI=1S/C20H24FN3O2/c1-23-18-7-10-26-13-17(18)20(22-23)15-5-8-24(9-6-15)19(25)12-14-3-2-4-16(21)11-14/h2-4,11,15H,5-10,12-13H2,1H3
InChIKeyPSHLMBLUCLLNNM-UHFFFAOYSA-N
XLogP2.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone (CID 91915292) is 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone is Cn1nc(C2CCN(C(=O)Cc3cccc(F)c3)CC2)c2c1CCOC2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is PSHLMBLUCLLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-23-18-7-10-26-13-17(18)20(22-23)15-5-8-24(9-6-15)19(25)12-14-3-2-4-16(21)11-14/h2-4,11,15H,5-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 357.43 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91915292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).