3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide

C25H23N3O2 — CID 46043084

IUPAC3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1
InChIInChI=1S/C25H23N3O2/c1-19-23(17-18-24(29)26-20-11-5-2-6-12-20)25(30-22-15-9-4-10-16-22)28(27-19)21-13-7-3-8-14-21/h2-16H,17-18H2,1H3,(H,26,29)
InChIKeyWZUNLGOMBNXULO-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.54
Rot. Bonds7

About 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide

3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide (PubChem CID 46043084) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide
PubChem CID46043084
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide
SMILESCc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1
InChIInChI=1S/C25H23N3O2/c1-19-23(17-18-24(29)26-20-11-5-2-6-12-20)25(30-22-15-9-4-10-16-22)28(27-19)21-13-7-3-8-14-21/h2-16H,17-18H2,1H3,(H,26,29)
InChIKeyWZUNLGOMBNXULO-UHFFFAOYSA-N
XLogP5.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide?
The IUPAC name of 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide (CID 46043084) is 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide?
The canonical SMILES for 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide is Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide?
The InChIKey is WZUNLGOMBNXULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-19-23(17-18-24(29)26-20-11-5-2-6-12-20)25(30-22-15-9-4-10-16-22)28(27-19)21-13-7-3-8-14-21/h2-16H,17-18H2,1H3,(H,26,29).
What are the key properties of 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide?
3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide has a molecular weight of 397.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 46043084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).