1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea

C23H20N4O2 — CID 139434229

IUPAC1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(-c3ccccc3)c2)ccc1Oc1ccccc1
InChIInChI=1S/C23H20N4O2/c1-17-14-18(12-13-22(17)29-21-10-6-3-7-11-21)25-23(28)26-19-15-24-27(16-19)20-8-4-2-5-9-20/h2-16H,1H3,(H2,25,26,28)
InChIKeyFQPYPZXCWJQNOU-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.62
Rot. Bonds5

About 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea

1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea (PubChem CID 139434229) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
PubChem CID139434229
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
SMILESCc1cc(NC(=O)Nc2cnn(-c3ccccc3)c2)ccc1Oc1ccccc1
InChIInChI=1S/C23H20N4O2/c1-17-14-18(12-13-22(17)29-21-10-6-3-7-11-21)25-23(28)26-19-15-24-27(16-19)20-8-4-2-5-9-20/h2-16H,1H3,(H2,25,26,28)
InChIKeyFQPYPZXCWJQNOU-UHFFFAOYSA-N
XLogP5.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60581339
phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
CID 139442804
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
1-(4-butylphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 153390159
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
N,3-dimethyl-4-phenoxyaniline
CID 143188330
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(2-methyl-4-pyridinyl)-3-[4-(phenylcarbamoylamino)pyrazol-1-yl]benzamide
CID 87057580
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea?
The IUPAC name of 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea (CID 139434229) is 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea?
The canonical SMILES for 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea is Cc1cc(NC(=O)Nc2cnn(-c3ccccc3)c2)ccc1Oc1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea?
The InChIKey is FQPYPZXCWJQNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-14-18(12-13-22(17)29-21-10-6-3-7-11-21)25-23(28)26-19-15-24-27(16-19)20-8-4-2-5-9-20/h2-16H,1H3,(H2,25,26,28).
What are the key properties of 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea?
1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea has a molecular weight of 384.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea is sourced from PubChem (CID 139434229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).