1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea

C24H23N5O3 — CID 88948710

IUPAC1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea
SMILESCCn1cc(-c2cccc(N(O)C(=O)Nc3ccc(OC)cc3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C24H23N5O3/c1-3-28-16-22(23(27-28)17-11-13-25-14-12-17)18-5-4-6-20(15-18)29(31)24(30)26-19-7-9-21(32-2)10-8-19/h4-16,31H,3H2,1-2H3,(H,26,30)
InChIKeyLAYGZRHBPGSKMB-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.07
Rot. Bonds6

About 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea

1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea (PubChem CID 88948710) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea
PubChem CID88948710
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea
SMILESCCn1cc(-c2cccc(N(O)C(=O)Nc3ccc(OC)cc3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C24H23N5O3/c1-3-28-16-22(23(27-28)17-11-13-25-14-12-17)18-5-4-6-20(15-18)29(31)24(30)26-19-7-9-21(32-2)10-8-19/h4-16,31H,3H2,1-2H3,(H,26,30)
InChIKeyLAYGZRHBPGSKMB-UHFFFAOYSA-N
XLogP5.07
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea 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 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea (CID 88948710) is 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea is CCn1cc(-c2cccc(N(O)C(=O)Nc3ccc(OC)cc3)c2)c(-c2ccncc2)n1.
What is the InChIKey of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea?
The InChIKey is LAYGZRHBPGSKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-3-28-16-22(23(27-28)17-11-13-25-14-12-17)18-5-4-6-20(15-18)29(31)24(30)26-19-7-9-21(32-2)10-8-19/h4-16,31H,3H2,1-2H3,(H,26,30).
What are the key properties of 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea?
1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea has a molecular weight of 429.48 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]-1-hydroxy-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 88948710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).