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

C24H28FN3O3 — CID 46042436

IUPAC3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NC(C)C
InChIInChI=1S/C24H28FN3O3/c1-5-21-19(14-15-23(29)26-16(2)3)24(31-22-9-7-6-8-20(22)25)28(27-21)17-10-12-18(30-4)13-11-17/h6-13,16H,5,14-15H2,1-4H3,(H,26,29)
InChIKeyVTEJSZDOGMVAOE-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.83
Rot. Bonds9

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

3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide (PubChem CID 46042436) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide
PubChem CID46042436
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NC(C)C
InChIInChI=1S/C24H28FN3O3/c1-5-21-19(14-15-23(29)26-16(2)3)24(31-22-9-7-6-8-20(22)25)28(27-21)17-10-12-18(30-4)13-11-17/h6-13,16H,5,14-15H2,1-4H3,(H,26,29)
InChIKeyVTEJSZDOGMVAOE-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-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide (CID 46042436) is 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide is CCc1nn(-c2ccc(OC)cc2)c(Oc2ccccc2F)c1CCC(=O)NC(C)C.
What is the InChIKey of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is VTEJSZDOGMVAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-5-21-19(14-15-23(29)26-16(2)3)24(31-22-9-7-6-8-20(22)25)28(27-21)17-10-12-18(30-4)13-11-17/h6-13,16H,5,14-15H2,1-4H3,(H,26,29).
What are the key properties of 3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide?
3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide 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-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46042436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).