1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea

C28H27ClN4O2 — CID 24960497

IUPAC1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCC3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C28H27ClN4O2/c1-19-18-27(33(32-19)25-12-6-4-10-23(25)29)35-26-13-7-5-11-24(26)31-28(34)30-22-16-14-21(15-17-22)20-8-2-3-9-20/h4-7,10-18,20H,2-3,8-9H2,1H3,(H2,30,31,34)
InChIKeyBVPGJKJTFMYATM-UHFFFAOYSA-N
MW487.00 g/mol
LogP7.93
Rot. Bonds6

About 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea

1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea (PubChem CID 24960497) has the molecular formula C28H27ClN4O2 and a molecular weight of 487.00 g/mol. Its IUPAC name is 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea.

Molecular Properties

Compound Name1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea
PubChem CID24960497
Molecular FormulaC28H27ClN4O2
Molecular Weight487.00 g/mol
Exact Mass486.18
IUPAC Name1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea
SMILESCc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCC3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C28H27ClN4O2/c1-19-18-27(33(32-19)25-12-6-4-10-23(25)29)35-26-13-7-5-11-24(26)31-28(34)30-22-16-14-21(15-17-22)20-8-2-3-9-20/h4-7,10-18,20H,2-3,8-9H2,1H3,(H2,30,31,34)
InChIKeyBVPGJKJTFMYATM-UHFFFAOYSA-N
XLogP7.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.00
LogP ≤ 57.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)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-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea?
The IUPAC name of 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea (CID 24960497) is 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea.
What is the SMILES notation for 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea?
The canonical SMILES for 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea is Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCC3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea?
The InChIKey is BVPGJKJTFMYATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN4O2/c1-19-18-27(33(32-19)25-12-6-4-10-23(25)29)35-26-13-7-5-11-24(26)31-28(34)30-22-16-14-21(15-17-22)20-8-2-3-9-20/h4-7,10-18,20H,2-3,8-9H2,1H3,(H2,30,31,34).
What are the key properties of 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea?
1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea has a molecular weight of 487.00 g/mol, XLogP of 7.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-(4-cyclopentylphenyl)urea is sourced from PubChem (CID 24960497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).