[4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate

C23H23N3O3 — CID 46013334

IUPAC[4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate
SMILESCC(=O)Nc1ccc(-c2c(C3CC3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1
InChIInChI=1S/C23H23N3O3/c1-14-5-4-6-20(13-14)26-23(29-16(3)28)21(22(25-26)18-7-8-18)17-9-11-19(12-10-17)24-15(2)27/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,27)
InChIKeyDDYXZABIHMNUEN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.61
Rot. Bonds5

About [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate

[4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate (PubChem CID 46013334) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate.

Molecular Properties

Compound Name[4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate
PubChem CID46013334
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate
SMILESCC(=O)Nc1ccc(-c2c(C3CC3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1
InChIInChI=1S/C23H23N3O3/c1-14-5-4-6-20(13-14)26-23(29-16(3)28)21(22(25-26)18-7-8-18)17-9-11-19(12-10-17)24-15(2)27/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,27)
InChIKeyDDYXZABIHMNUEN-UHFFFAOYSA-N
XLogP4.61
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate?
The IUPAC name of [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate (CID 46013334) is [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate.
What is the SMILES notation for [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate?
The canonical SMILES for [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate is CC(=O)Nc1ccc(-c2c(C3CC3)nn(-c3cccc(C)c3)c2OC(C)=O)cc1.
What is the InChIKey of [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate?
The InChIKey is DDYXZABIHMNUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-5-4-6-20(13-14)26-23(29-16(3)28)21(22(25-26)18-7-8-18)17-9-11-19(12-10-17)24-15(2)27/h4-6,9-13,18H,7-8H2,1-3H3,(H,24,27).
What are the key properties of [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate?
[4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate has a molecular weight of 389.46 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-acetamidophenyl)-3-cyclopropyl-1-(3-methylphenyl)pyrazol-5-yl] acetate is sourced from PubChem (CID 46013334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).