1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea

C24H22N4O2 — CID 2815272

IUPAC1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22N4O2/c1-28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-20-12-14-21(15-13-20)30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29)
InChIKeyKKMIGLMSGDXUEX-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.31
Rot. Bonds6

About 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea

1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea (PubChem CID 2815272) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
PubChem CID2815272
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea
SMILESCn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H22N4O2/c1-28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-20-12-14-21(15-13-20)30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29)
InChIKeyKKMIGLMSGDXUEX-UHFFFAOYSA-N
XLogP5.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)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-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea (CID 2815272) is 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea is Cn1nc(-c2ccccc2)cc1NC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is KKMIGLMSGDXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-28-23(16-22(27-28)19-10-6-3-7-11-19)26-24(29)25-20-12-14-21(15-13-20)30-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,29).
What are the key properties of 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea?
1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 398.47 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-phenylpyrazol-5-yl)-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 2815272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).