(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol

C18H20FN3O3 — CID 95774408

IUPAC(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol
SMILESCOc1ccc(N(Cc2ccco2)C[C@@H](O)Cn2cccn2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-24-18-6-5-14(10-17(18)19)21(13-16-4-2-9-25-16)11-15(23)12-22-8-3-7-20-22/h2-10,15,23H,11-13H2,1H3/t15-/m1/s1
InChIKeySZBXAENZHQJFMY-OAHLLOKOSA-N
MW345.37 g/mol
LogP2.69
Rot. Bonds8

About (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95774408) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95774408
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol
SMILESCOc1ccc(N(Cc2ccco2)C[C@@H](O)Cn2cccn2)cc1F
InChIInChI=1S/C18H20FN3O3/c1-24-18-6-5-14(10-17(18)19)21(13-16-4-2-9-25-16)11-15(23)12-22-8-3-7-20-22/h2-10,15,23H,11-13H2,1H3/t15-/m1/s1
InChIKeySZBXAENZHQJFMY-OAHLLOKOSA-N
XLogP2.69
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol (CID 95774408) is (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol is COc1ccc(N(Cc2ccco2)C[C@@H](O)Cn2cccn2)cc1F.
What is the InChIKey of (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is SZBXAENZHQJFMY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-24-18-6-5-14(10-17(18)19)21(13-16-4-2-9-25-16)11-15(23)12-22-8-3-7-20-22/h2-10,15,23H,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 345.37 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-fluoro-N-(furan-2-ylmethyl)-4-methoxyanilino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95774408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).