1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

C20H24ClN5O3 — CID 45229369

IUPAC1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C20H24ClN5O3/c21-16-3-1-2-4-17(16)23-20(28)24-18-5-9-22-26(18)15-6-10-25(11-7-15)19(27)14-8-12-29-13-14/h1-5,9,14-15H,6-8,10-13H2,(H2,23,24,28)
InChIKeyNPOBXJWUYGBAHJ-UHFFFAOYSA-N
MW417.90 g/mol
LogP3.38
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 45229369) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID45229369
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESO=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C20H24ClN5O3/c21-16-3-1-2-4-17(16)23-20(28)24-18-5-9-22-26(18)15-6-10-25(11-7-15)19(27)14-8-12-29-13-14/h1-5,9,14-15H,6-8,10-13H2,(H2,23,24,28)
InChIKeyNPOBXJWUYGBAHJ-UHFFFAOYSA-N
XLogP3.38
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 45229369) is 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is NPOBXJWUYGBAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3/c21-16-3-1-2-4-17(16)23-20(28)24-18-5-9-22-26(18)15-6-10-25(11-7-15)19(27)14-8-12-29-13-14/h1-5,9,14-15H,6-8,10-13H2,(H2,23,24,28).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 417.90 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 45229369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).