3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide

C24H28FN3O3 — CID 46042663

IUPAC3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccccc1Oc1c(CCC(=O)NCC(C)C)c(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O3/c1-16(2)15-26-23(29)14-13-20-17(3)27-28(19-11-9-18(25)10-12-19)24(20)31-22-8-6-5-7-21(22)30-4/h5-12,16H,13-15H2,1-4H3,(H,26,29)
InChIKeyZFUQTMIRMQLFMK-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.83
Rot. Bonds9

About 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide

3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide (PubChem CID 46042663) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide
PubChem CID46042663
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide
SMILESCOc1ccccc1Oc1c(CCC(=O)NCC(C)C)c(C)nn1-c1ccc(F)cc1
InChIInChI=1S/C24H28FN3O3/c1-16(2)15-26-23(29)14-13-20-17(3)27-28(19-11-9-18(25)10-12-19)24(20)31-22-8-6-5-7-21(22)30-4/h5-12,16H,13-15H2,1-4H3,(H,26,29)
InChIKeyZFUQTMIRMQLFMK-UHFFFAOYSA-N
XLogP4.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide (CID 46042663) is 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide is COc1ccccc1Oc1c(CCC(=O)NCC(C)C)c(C)nn1-c1ccc(F)cc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is ZFUQTMIRMQLFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16(2)15-26-23(29)14-13-20-17(3)27-28(19-11-9-18(25)10-12-19)24(20)31-22-8-6-5-7-21(22)30-4/h5-12,16H,13-15H2,1-4H3,(H,26,29).
What are the key properties of 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide?
3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 425.50 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 46042663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).