3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole

C17H19F2N5O — CID 123138852

IUPAC3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole
SMILES[N-]=[N+]=NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
InChIInChI=1S/C17H19F2N5O/c18-14-5-6-16(19)13(7-14)11-25-17-8-15(9-21-23-20)22-24(17)10-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2
InChIKeyDYKSAUAUAPZYIL-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.74
Rot. Bonds7

About 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole

3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole (PubChem CID 123138852) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole.

Molecular Properties

Compound Name3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole
PubChem CID123138852
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole
SMILES[N-]=[N+]=NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1
InChIInChI=1S/C17H19F2N5O/c18-14-5-6-16(19)13(7-14)11-25-17-8-15(9-21-23-20)22-24(17)10-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2
InChIKeyDYKSAUAUAPZYIL-UHFFFAOYSA-N
XLogP4.74
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole?
The IUPAC name of 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole (CID 123138852) is 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole.
What is the SMILES notation for 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole?
The canonical SMILES for 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole is [N-]=[N+]=NCc1cc(OCc2cc(F)ccc2F)n(CC2CCCC2)n1.
What is the InChIKey of 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole?
The InChIKey is DYKSAUAUAPZYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c18-14-5-6-16(19)13(7-14)11-25-17-8-15(9-21-23-20)22-24(17)10-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2.
What are the key properties of 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole?
3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole has a molecular weight of 347.37 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1-(cyclopentylmethyl)-5-[(2,5-difluorophenyl)methoxy]pyrazole is sourced from PubChem (CID 123138852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).