1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea

C17H20Cl2N4O2 — CID 166236169

IUPAC1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCn1cc(NC(=O)NC(C)(CO)c2cc(Cl)cc(Cl)c2)c(C2CC2)n1
InChIInChI=1S/C17H20Cl2N4O2/c1-17(9-24,11-5-12(18)7-13(19)6-11)21-16(25)20-14-8-23(2)22-15(14)10-3-4-10/h5-8,10,24H,3-4,9H2,1-2H3,(H2,20,21,25)
InChIKeyDRKONBGKHINUPL-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.63
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea

1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea (PubChem CID 166236169) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea
PubChem CID166236169
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea
SMILESCn1cc(NC(=O)NC(C)(CO)c2cc(Cl)cc(Cl)c2)c(C2CC2)n1
InChIInChI=1S/C17H20Cl2N4O2/c1-17(9-24,11-5-12(18)7-13(19)6-11)21-16(25)20-14-8-23(2)22-15(14)10-3-4-10/h5-8,10,24H,3-4,9H2,1-2H3,(H2,20,21,25)
InChIKeyDRKONBGKHINUPL-UHFFFAOYSA-N
XLogP3.63
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-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-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea (CID 166236169) is 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea is Cn1cc(NC(=O)NC(C)(CO)c2cc(Cl)cc(Cl)c2)c(C2CC2)n1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea?
The InChIKey is DRKONBGKHINUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-17(9-24,11-5-12(18)7-13(19)6-11)21-16(25)20-14-8-23(2)22-15(14)10-3-4-10/h5-8,10,24H,3-4,9H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea?
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea has a molecular weight of 383.28 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea is sourced from PubChem (CID 166236169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).