[4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate

C24H27N3O4 — CID 46013370

IUPAC[4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate
SMILESCOCC(=O)Nc1ccc(-c2c(CC(C)C)nn(-c3ccccc3)c2OC(C)=O)cc1
InChIInChI=1S/C24H27N3O4/c1-16(2)14-21-23(18-10-12-19(13-11-18)25-22(29)15-30-4)24(31-17(3)28)27(26-21)20-8-6-5-7-9-20/h5-13,16H,14-15H2,1-4H3,(H,25,29)
InChIKeyIWLXNJJLBWFNRG-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.25
Rot. Bonds8

About [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate

[4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate (PubChem CID 46013370) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate.

Molecular Properties

Compound Name[4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate
PubChem CID46013370
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name[4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate
SMILESCOCC(=O)Nc1ccc(-c2c(CC(C)C)nn(-c3ccccc3)c2OC(C)=O)cc1
InChIInChI=1S/C24H27N3O4/c1-16(2)14-21-23(18-10-12-19(13-11-18)25-22(29)15-30-4)24(31-17(3)28)27(26-21)20-8-6-5-7-9-20/h5-13,16H,14-15H2,1-4H3,(H,25,29)
InChIKeyIWLXNJJLBWFNRG-UHFFFAOYSA-N
XLogP4.25
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(2-methylpropanoylamino)phenyl]-1-phenyl-3-propylpyrazol-5-yl] acetate
CID 42837976
[1-phenyl-4-[4-[(2-phenylacetyl)amino]phenyl]-3-propan-2-ylpyrazol-5-yl] acetate
CID 46013781
[1-(3-methylphenyl)-3-(2-methylpropyl)-4-[4-(thiophene-2-carbonylamino)phenyl]pyrazol-5-yl] acetate
CID 46013384
[1-phenyl-3-propyl-4-[4-(thiophene-2-carbonylamino)phenyl]pyrazol-5-yl] acetate
CID 42837977
[3-[4-(dimethylamino)phenyl]-1-(3-fluorophenyl)-4-[4-[(2-methoxyacetyl)amino]phenyl]pyrazol-5-yl] acetate
CID 46013971
[3-(2-methoxyphenyl)-4-[4-(2-methylpropanoylamino)phenyl]-1-phenylpyrazol-5-yl] acetate
CID 42838137
[4-[4-[(2-chlorobenzoyl)amino]phenyl]-1-phenyl-3-propan-2-ylpyrazol-5-yl] acetate
CID 46013773
[4-[4-[(4-methylbenzoyl)amino]phenyl]-1-phenyl-3-propan-2-ylpyrazol-5-yl] acetate
CID 46013776
[3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4-[4-[(2-methoxyacetyl)amino]phenyl]pyrazol-5-yl] acetate
CID 46013691
[4-[4-[(3-chlorobenzoyl)amino]phenyl]-1-phenyl-3-propylpyrazol-5-yl] acetate
CID 46013264
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55573470
[4-[4-(3,3-dimethylbutanoylamino)phenyl]-1-(3-methylphenyl)-3-propylpyrazol-5-yl] acetate
CID 42838003

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate?
The IUPAC name of [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate (CID 46013370) is [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate.
What is the SMILES notation for [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate?
The canonical SMILES for [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate is COCC(=O)Nc1ccc(-c2c(CC(C)C)nn(-c3ccccc3)c2OC(C)=O)cc1.
What is the InChIKey of [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate?
The InChIKey is IWLXNJJLBWFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16(2)14-21-23(18-10-12-19(13-11-18)25-22(29)15-30-4)24(31-17(3)28)27(26-21)20-8-6-5-7-9-20/h5-13,16H,14-15H2,1-4H3,(H,25,29).
What are the key properties of [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate?
[4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate has a molecular weight of 421.50 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylpropyl)-1-phenylpyrazol-5-yl] acetate is sourced from PubChem (CID 46013370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).