[5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone

C15H11FN2O3 — CID 3243758

IUPAC[5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1
InChIInChI=1S/C15H11FN2O3/c16-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(19)18-9-1-8-17-18/h1-9H,10H2
InChIKeyZHHGHWDAMAFEBL-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.88
Rot. Bonds4

About [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone

[5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone (PubChem CID 3243758) has the molecular formula C15H11FN2O3 and a molecular weight of 286.26 g/mol. Its IUPAC name is [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone
PubChem CID3243758
Molecular FormulaC15H11FN2O3
Molecular Weight286.26 g/mol
Exact Mass286.08
IUPAC Name[5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1
InChIInChI=1S/C15H11FN2O3/c16-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(19)18-9-1-8-17-18/h1-9H,10H2
InChIKeyZHHGHWDAMAFEBL-UHFFFAOYSA-N
XLogP2.88
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-((4-chloro-1H-pyrazol-1-yl)methyl)furan-2-carboxylate
CID 914296
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid
CID 777837
4-chloro-3-methylphenyl [5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl ether
CID 841187
4-bromo-1-{[5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 892503
4-bromo-1-{5-[(4-fluorophenoxy)methyl]-2-furoyl}-1H-pyrazole
CID 1222676
[5-(2,4-Difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834430
[5-(4-Methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834530
4-chloro-1-{5-[(4-propylphenoxy)methyl]-2-furoyl}-1H-pyrazole
CID 717077
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(3,4-difluorophenyl)-2-furamide
CID 3569532
(3,5-dimethyl-1H-pyrazol-1-yl){5-[(4-fluorophenoxy)methyl]furan-2-yl}methanone
CID 5076881
5-methyl-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37394680

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone (CID 3243758) is [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone is O=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1.
What is the InChIKey of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
The InChIKey is ZHHGHWDAMAFEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3/c16-11-2-4-12(5-3-11)20-10-13-6-7-14(21-13)15(19)18-9-1-8-17-18/h1-9H,10H2.
What are the key properties of [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone?
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone has a molecular weight of 286.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenoxy)methyl]furan-2-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 3243758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).