5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide

C17H16FN3O3 — CID 19292297

IUPAC5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cn1
InChIInChI=1S/C17H16FN3O3/c1-21-10-12(9-20-21)8-19-17(22)16-7-6-15(24-16)11-23-14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyMFSCZZQTUCTTES-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.66
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 19292297) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID19292297
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCn1cc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cn1
InChIInChI=1S/C17H16FN3O3/c1-21-10-12(9-20-21)8-19-17(22)16-7-6-15(24-16)11-23-14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyMFSCZZQTUCTTES-UHFFFAOYSA-N
XLogP2.66
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417314
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19329723
N-[(1-methylpyrazol-4-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292377
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
5-[(4-fluorophenoxy)methyl]-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 46400150
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
5-[(4-fluorophenoxy)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56517035
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
N-[4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19413187

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 19292297) is 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is Cn1cc(CNC(=O)c2ccc(COc3ccc(F)cc3)o2)cn1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is MFSCZZQTUCTTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-21-10-12(9-20-21)8-19-17(22)16-7-6-15(24-16)11-23-14-4-2-13(18)3-5-14/h2-7,9-10H,8,11H2,1H3,(H,19,22).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19292297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).