[4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate

C24H24FN3O3 — CID 46150786

IUPAC[4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc(NC(=O)C3CC3)cc2)c(C(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C24H24FN3O3/c1-14(2)22-21(16-9-11-19(12-10-16)26-23(30)17-7-8-17)24(31-15(3)29)28(27-22)20-6-4-5-18(25)13-20/h4-6,9-14,17H,7-8H2,1-3H3,(H,26,30)
InChIKeyBZFFPOCYBYTSAN-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.08
Rot. Bonds6

About [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate

[4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate (PubChem CID 46150786) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate.

Molecular Properties

Compound Name[4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate
PubChem CID46150786
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name[4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate
SMILESCC(=O)Oc1c(-c2ccc(NC(=O)C3CC3)cc2)c(C(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C24H24FN3O3/c1-14(2)22-21(16-9-11-19(12-10-16)26-23(30)17-7-8-17)24(31-15(3)29)28(27-22)20-6-4-5-18(25)13-20/h4-6,9-14,17H,7-8H2,1-3H3,(H,26,30)
InChIKeyBZFFPOCYBYTSAN-UHFFFAOYSA-N
XLogP5.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate?
The IUPAC name of [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate (CID 46150786) is [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate.
What is the SMILES notation for [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate?
The canonical SMILES for [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate is CC(=O)Oc1c(-c2ccc(NC(=O)C3CC3)cc2)c(C(C)C)nn1-c1cccc(F)c1.
What is the InChIKey of [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate?
The InChIKey is BZFFPOCYBYTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-14(2)22-21(16-9-11-19(12-10-16)26-23(30)17-7-8-17)24(31-15(3)29)28(27-22)20-6-4-5-18(25)13-20/h4-6,9-14,17H,7-8H2,1-3H3,(H,26,30).
What are the key properties of [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate?
[4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate has a molecular weight of 421.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(cyclopropanecarbonylamino)phenyl]-1-(3-fluorophenyl)-3-propan-2-ylpyrazol-5-yl] acetate is sourced from PubChem (CID 46150786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).