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

C25H24FN3O3 — CID 46042389

IUPAC3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C25H24FN3O3/c1-2-23-22(14-15-24(30)27-17-21-9-6-16-31-21)25(32-20-12-10-18(26)11-13-20)29(28-23)19-7-4-3-5-8-19/h3-13,16H,2,14-15,17H2,1H3,(H,27,30)
InChIKeyNLLRTPZQWZDBMF-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.21
Rot. Bonds9

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

3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 46042389) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID46042389
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1
InChIInChI=1S/C25H24FN3O3/c1-2-23-22(14-15-24(30)27-17-21-9-6-16-31-21)25(32-20-12-10-18(26)11-13-20)29(28-23)19-7-4-3-5-8-19/h3-13,16H,2,14-15,17H2,1H3,(H,27,30)
InChIKeyNLLRTPZQWZDBMF-UHFFFAOYSA-N
XLogP5.21
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-ethyl-5-(4-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 42850496
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
N-(furan-2-ylmethyl)-3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)propanamide
CID 42796779
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
N-(furan-2-ylmethyl)-3-[3-methyl-1-(3-methylphenyl)-5-phenoxypyrazol-4-yl]propanamide
CID 46042982
N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)cyclobutanecarboxamide
CID 51068632
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 42850693
N-(cyclopropylmethyl)-3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]propanamide
CID 46043146
(2S)-1-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl-(furan-2-ylmethyl)amino]butan-2-ol
CID 93217867
3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
N-ethyl-3-[3-ethyl-1-(4-methoxyphenyl)-5-(2-methylphenoxy)pyrazol-4-yl]propanamide
CID 46042471

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 46042389) is 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CCC(=O)NCc1ccco1.
What is the InChIKey of 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is NLLRTPZQWZDBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-2-23-22(14-15-24(30)27-17-21-9-6-16-31-21)25(32-20-12-10-18(26)11-13-20)29(28-23)19-7-4-3-5-8-19/h3-13,16H,2,14-15,17H2,1H3,(H,27,30).
What are the key properties of 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide?
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 433.48 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 46042389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).