1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C17H21FN4 — CID 3414861

IUPAC1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(CN3CCCCC3)c3c2NCC3)cc1
InChIInChI=1S/C17H21FN4/c18-13-4-6-14(7-5-13)22-17-15(8-9-19-17)16(20-22)12-21-10-2-1-3-11-21/h4-7,19H,1-3,8-12H2
InChIKeyXZCUVISJMMTVTC-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3414861) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3414861
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(CN3CCCCC3)c3c2NCC3)cc1
InChIInChI=1S/C17H21FN4/c18-13-4-6-14(7-5-13)22-17-15(8-9-19-17)16(20-22)12-21-10-2-1-3-11-21/h4-7,19H,1-3,8-12H2
InChIKeyXZCUVISJMMTVTC-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3414861) is 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(CN3CCCCC3)c3c2NCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is XZCUVISJMMTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c18-13-4-6-14(7-5-13)22-17-15(8-9-19-17)16(20-22)12-21-10-2-1-3-11-21/h4-7,19H,1-3,8-12H2.
What are the key properties of 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 300.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3414861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).