3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide

C24H21F2N3O3 — CID 46042765

IUPAC3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C24H21F2N3O3/c1-16-20(12-13-23(30)27-15-19-5-4-14-31-19)24(32-22-7-3-2-6-21(22)26)29(28-16)18-10-8-17(25)9-11-18/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyIYUSCJBTCIHJPT-UHFFFAOYSA-N
MW437.45 g/mol
LogP5.09
Rot. Bonds8

About 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide

3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 46042765) has the molecular formula C24H21F2N3O3 and a molecular weight of 437.45 g/mol. Its IUPAC name is 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID46042765
Molecular FormulaC24H21F2N3O3
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C24H21F2N3O3/c1-16-20(12-13-23(30)27-15-19-5-4-14-31-19)24(32-22-7-3-2-6-21(22)26)29(28-16)18-10-8-17(25)9-11-18/h2-11,14H,12-13,15H2,1H3,(H,27,30)
InChIKeyIYUSCJBTCIHJPT-UHFFFAOYSA-N
XLogP5.09
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-5-[(4-fluorophenoxy)methyl]-2-furamide
CID 4056152
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
2H-Indazole-6-carboxamide, 2-butyl-3-ethoxy-N-(2-furanylmethyl)-
CID 11958393
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)propanamide
CID 16022634
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[(furan-2-YL)methyl]propanamide
CID 16022770
Tert-butyl 4-[1-(2,4-difluorophenyl)-4-(furan-2-ylmethylcarbamoyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023978
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 16291129
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 16301506
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(furan-2-YL)ethyl]propanamide
CID 20919735

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 46042765) is 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is Cc1nn(-c2ccc(F)cc2)c(Oc2ccccc2F)c1CCC(=O)NCc1ccco1.
What is the InChIKey of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is IYUSCJBTCIHJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O3/c1-16-20(12-13-23(30)27-15-19-5-4-14-31-19)24(32-22-7-3-2-6-21(22)26)29(28-16)18-10-8-17(25)9-11-18/h2-11,14H,12-13,15H2,1H3,(H,27,30).
What are the key properties of 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 437.45 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 46042765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).