3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide

C23H26FN3O2 — CID 46042713

IUPAC3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCc1cccc(Oc2c(CCC(=O)NC(C)C)c(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN3O2/c1-15(2)25-22(28)13-12-21-17(4)26-27(19-10-8-18(24)9-11-19)23(21)29-20-7-5-6-16(3)14-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)
InChIKeyJWUXRKJRFDGAGU-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.88
Rot. Bonds7

About 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide

3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide (PubChem CID 46042713) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
PubChem CID46042713
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide
SMILESCc1cccc(Oc2c(CCC(=O)NC(C)C)c(C)nn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H26FN3O2/c1-15(2)25-22(28)13-12-21-17(4)26-27(19-10-8-18(24)9-11-19)23(21)29-20-7-5-6-16(3)14-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)
InChIKeyJWUXRKJRFDGAGU-UHFFFAOYSA-N
XLogP4.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46043139
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042730
N-cyclopropyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850586
3-[5-(3-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 46042798
3-[3-methyl-5-(3-methylphenoxy)-1-(3-methylphenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46042969
N-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-3-methyl-5-phenoxypyrazol-4-yl]propanamide
CID 46042530
3-[5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]-N-phenylpropanamide
CID 46042577
N,N-diethyl-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042825
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-(4-methylphenyl)propanamide
CID 46042695
3-[1-(4-fluorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042703
N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]propanamide
CID 42850588
N-(3-fluorophenyl)-3-[5-(4-methoxyphenoxy)-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]propanamide
CID 46042509

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide (CID 46042713) is 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide is Cc1cccc(Oc2c(CCC(=O)NC(C)C)c(C)nn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide?
The InChIKey is JWUXRKJRFDGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15(2)25-22(28)13-12-21-17(4)26-27(19-10-8-18(24)9-11-19)23(21)29-20-7-5-6-16(3)14-20/h5-11,14-15H,12-13H2,1-4H3,(H,25,28).
What are the key properties of 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide?
3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 395.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-3-methyl-5-(3-methylphenoxy)pyrazol-4-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 46042713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).