3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide

C24H28FN3O4 — CID 46042434

IUPAC3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NCCOC
InChIInChI=1S/C24H28FN3O4/c1-4-21-19(13-14-23(29)26-15-16-30-2)24(32-22-8-6-5-7-20(22)25)28(27-21)17-9-11-18(31-3)12-10-17/h5-12H,4,13-16H2,1-3H3,(H,26,29)
InChIKeyLNCTTXCZKGAKCB-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.07
Rot. Bonds11

About 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide

3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 46042434) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID46042434
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NCCOC
InChIInChI=1S/C24H28FN3O4/c1-4-21-19(13-14-23(29)26-15-16-30-2)24(32-22-8-6-5-7-20(22)25)28(27-21)17-9-11-18(31-3)12-10-17/h5-12H,4,13-16H2,1-3H3,(H,26,29)
InChIKeyLNCTTXCZKGAKCB-UHFFFAOYSA-N
XLogP4.07
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide (CID 46042434) is 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NCCOC.
What is the InChIKey of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is LNCTTXCZKGAKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c1-4-21-19(13-14-23(29)26-15-16-30-2)24(32-22-8-6-5-7-20(22)25)28(27-21)17-9-11-18(31-3)12-10-17/h5-12H,4,13-16H2,1-3H3,(H,26,29).
What are the key properties of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide?
3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 441.50 g/mol, XLogP of 4.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 46042434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).