(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine

C19H24FN3O2 — CID 174652612

IUPAC(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine
SMILES[H]/N=C(\c1ccnn1C1CC1)[C@H](CC)c1cc(F)cc(OCCOC)c1
InChIInChI=1S/C19H24FN3O2/c1-3-17(19(21)18-6-7-22-23(18)15-4-5-15)13-10-14(20)12-16(11-13)25-9-8-24-2/h6-7,10-12,15,17,21H,3-5,8-9H2,1-2H3/b21-19-/t17-/m1/s1
InChIKeyWVCLIXIBPXOQDQ-DPPKGPFUSA-N
MW345.42 g/mol
LogP3.94
Rot. Bonds9

About (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine

(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine (PubChem CID 174652612) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine.

Molecular Properties

Compound Name(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine
PubChem CID174652612
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine
SMILES[H]/N=C(\c1ccnn1C1CC1)[C@H](CC)c1cc(F)cc(OCCOC)c1
InChIInChI=1S/C19H24FN3O2/c1-3-17(19(21)18-6-7-22-23(18)15-4-5-15)13-10-14(20)12-16(11-13)25-9-8-24-2/h6-7,10-12,15,17,21H,3-5,8-9H2,1-2H3/b21-19-/t17-/m1/s1
InChIKeyWVCLIXIBPXOQDQ-DPPKGPFUSA-N
XLogP3.94
TPSA60.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine?
The IUPAC name of (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine (CID 174652612) is (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine.
What is the SMILES notation for (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine?
The canonical SMILES for (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine is [H]/N=C(\c1ccnn1C1CC1)[C@H](CC)c1cc(F)cc(OCCOC)c1.
What is the InChIKey of (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine?
The InChIKey is WVCLIXIBPXOQDQ-DPPKGPFUSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-3-17(19(21)18-6-7-22-23(18)15-4-5-15)13-10-14(20)12-16(11-13)25-9-8-24-2/h6-7,10-12,15,17,21H,3-5,8-9H2,1-2H3/b21-19-/t17-/m1/s1.
What are the key properties of (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine?
(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine has a molecular weight of 345.42 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine is sourced from PubChem (CID 174652612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).