1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea

C18H23ClN6O3 — CID 74924622

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)Nc2cc(Cl)ccc2OC)N1
InChIInChI=1S/C18H23ClN6O3/c1-4-12-9-16(26)23-17(20-12)25-15(7-10(2)24-25)22-18(27)21-13-8-11(19)5-6-14(13)28-3/h5-8,12,17,20H,4,9H2,1-3H3,(H,23,26)(H2,21,22,27)
InChIKeyFCOJKZHLFSHMLE-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.84
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea

1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea (PubChem CID 74924622) has the molecular formula C18H23ClN6O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
PubChem CID74924622
Molecular FormulaC18H23ClN6O3
Molecular Weight406.87 g/mol
Exact Mass406.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)Nc2cc(Cl)ccc2OC)N1
InChIInChI=1S/C18H23ClN6O3/c1-4-12-9-16(26)23-17(20-12)25-15(7-10(2)24-25)22-18(27)21-13-8-11(19)5-6-14(13)28-3/h5-8,12,17,20H,4,9H2,1-3H3,(H,23,26)(H2,21,22,27)
InChIKeyFCOJKZHLFSHMLE-UHFFFAOYSA-N
XLogP2.84
TPSA109.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-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

Related Compounds

5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
1-[3-tert-butyl-1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 74924661
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-(2-methyl-1H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 78714822
1-(5-chloro-2-methoxyphenyl)-3-(4,6-dimethyl-2-pyridinyl)urea
CID 971831
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
N-(5-chloro-2-methoxyphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 119927614

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea (CID 74924622) is 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea is CCC1CC(=O)NC(n2nc(C)cc2NC(=O)Nc2cc(Cl)ccc2OC)N1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
The InChIKey is FCOJKZHLFSHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O3/c1-4-12-9-16(26)23-17(20-12)25-15(7-10(2)24-25)22-18(27)21-13-8-11(19)5-6-14(13)28-3/h5-8,12,17,20H,4,9H2,1-3H3,(H,23,26)(H2,21,22,27).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea has a molecular weight of 406.87 g/mol, XLogP of 2.84, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea is sourced from PubChem (CID 74924622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).