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

C17H20F2N4 — CID 3405631

IUPAC1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(CN3CCCCC3)c3c2NCC3)c(F)c1
InChIInChI=1S/C17H20F2N4/c18-12-4-5-16(14(19)10-12)23-17-13(6-7-20-17)15(21-23)11-22-8-2-1-3-9-22/h4-5,10,20H,1-3,6-9,11H2
InChIKeyHCTKOVFIRKVTEZ-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.10
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3405631) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3405631
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(CN3CCCCC3)c3c2NCC3)c(F)c1
InChIInChI=1S/C17H20F2N4/c18-12-4-5-16(14(19)10-12)23-17-13(6-7-20-17)15(21-23)11-22-8-2-1-3-9-22/h4-5,10,20H,1-3,6-9,11H2
InChIKeyHCTKOVFIRKVTEZ-UHFFFAOYSA-N
XLogP3.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3405631) is 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(CN3CCCCC3)c3c2NCC3)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is HCTKOVFIRKVTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-12-4-5-16(14(19)10-12)23-17-13(6-7-20-17)15(21-23)11-22-8-2-1-3-9-22/h4-5,10,20H,1-3,6-9,11H2.
What are the key properties of 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 318.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(piperidin-1-ylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3405631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).