2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C19H24FN3O — CID 166240280

IUPAC2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESFc1ccccc1COC1CCN(Cc2cc3n(n2)CCC3)CC1
InChIInChI=1S/C19H24FN3O/c20-19-6-2-1-4-15(19)14-24-18-7-10-22(11-8-18)13-16-12-17-5-3-9-23(17)21-16/h1-2,4,6,12,18H,3,5,7-11,13-14H2
InChIKeyKXUQKIORXQCYMN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.15
Rot. Bonds5

About 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 166240280) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID166240280
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESFc1ccccc1COC1CCN(Cc2cc3n(n2)CCC3)CC1
InChIInChI=1S/C19H24FN3O/c20-19-6-2-1-4-15(19)14-24-18-7-10-22(11-8-18)13-16-12-17-5-3-9-23(17)21-16/h1-2,4,6,12,18H,3,5,7-11,13-14H2
InChIKeyKXUQKIORXQCYMN-UHFFFAOYSA-N
XLogP3.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 166240280) is 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Fc1ccccc1COC1CCN(Cc2cc3n(n2)CCC3)CC1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is KXUQKIORXQCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-19-6-2-1-4-15(19)14-24-18-7-10-22(11-8-18)13-16-12-17-5-3-9-23(17)21-16/h1-2,4,6,12,18H,3,5,7-11,13-14H2.
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 329.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 166240280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).