1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine

C20H27F2N3O — CID 56601348

IUPAC1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine
SMILESCNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
InChIInChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
InChIKeyDLYNMGNQLXCELA-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.60
Rot. Bonds8

About 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine

1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine (PubChem CID 56601348) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine
PubChem CID56601348
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine
SMILESCNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1
InChIInChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3
InChIKeyDLYNMGNQLXCELA-UHFFFAOYSA-N
XLogP4.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine (CID 56601348) is 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine is CNC(C)c1cc(OCc2cc(F)ccc2F)n(CCC2CCCC2)n1.
What is the InChIKey of 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine?
The InChIKey is DLYNMGNQLXCELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-14(23-2)19-12-20(25(24-19)10-9-15-5-3-4-6-15)26-13-16-11-17(21)7-8-18(16)22/h7-8,11-12,14-15,23H,3-6,9-10,13H2,1-2H3.
What are the key properties of 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine?
1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine has a molecular weight of 363.45 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopentylethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 56601348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).