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

C24H28FN3O2 — CID 42850417

IUPAC3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CCC(=O)N(C)C(C)C
InChIInChI=1S/C24H28FN3O2/c1-5-22-21(14-15-23(29)27(4)17(2)3)24(30-20-13-9-10-18(25)16-20)28(26-22)19-11-7-6-8-12-19/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyAGZBURPIMQTRLW-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.17
Rot. Bonds8

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

3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 42850417) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
PubChem CID42850417
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CCC(=O)N(C)C(C)C
InChIInChI=1S/C24H28FN3O2/c1-5-22-21(14-15-23(29)27(4)17(2)3)24(30-20-13-9-10-18(25)16-20)28(26-22)19-11-7-6-8-12-19/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyAGZBURPIMQTRLW-UHFFFAOYSA-N
XLogP5.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042417
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042730
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 46042454
3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850424
3-[3-ethyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850393
3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(3-methylphenyl)propanamide
CID 46042455
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 71956977
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136337
N-ethyl-3-[3-ethyl-5-(4-fluorophenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 42850422
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
3-[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 42850403
N-cyclopropyl-3-[3-ethyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]propanamide
CID 46042373

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide (CID 42850417) is 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide is CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CCC(=O)N(C)C(C)C.
What is the InChIKey of 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is AGZBURPIMQTRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-5-22-21(14-15-23(29)27(4)17(2)3)24(30-20-13-9-10-18(25)16-20)28(26-22)19-11-7-6-8-12-19/h6-13,16-17H,5,14-15H2,1-4H3.
What are the key properties of 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide?
3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 42850417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).