1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea

C20H28N4O2 — CID 154870826

IUPAC1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea
SMILESCOc1cc(C)cc(C)c1C(C)NC(=O)NCc1cc(C2CC2)nn1C
InChIInChI=1S/C20H28N4O2/c1-12-8-13(2)19(18(9-12)26-5)14(3)22-20(25)21-11-16-10-17(15-6-7-15)23-24(16)4/h8-10,14-15H,6-7,11H2,1-5H3,(H2,21,22,25)
InChIKeyWDUUBOFFEBNAII-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.48
Rot. Bonds6

About 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea

1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea (PubChem CID 154870826) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea
PubChem CID154870826
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea
SMILESCOc1cc(C)cc(C)c1C(C)NC(=O)NCc1cc(C2CC2)nn1C
InChIInChI=1S/C20H28N4O2/c1-12-8-13(2)19(18(9-12)26-5)14(3)22-20(25)21-11-16-10-17(15-6-7-15)23-24(16)4/h8-10,14-15H,6-7,11H2,1-5H3,(H2,21,22,25)
InChIKeyWDUUBOFFEBNAII-UHFFFAOYSA-N
XLogP3.48
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]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

N-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514936
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
CID 98129361
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 60570260
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
N-[4-[4-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166288271
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(2,5-dimethylphenoxy)propanamide
CID 122277868
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 95187109
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
(2S)-2-(3,4-dimethylphenoxy)-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]propanamide
CID 92624497

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea (CID 154870826) is 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea is COc1cc(C)cc(C)c1C(C)NC(=O)NCc1cc(C2CC2)nn1C.
What is the InChIKey of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea?
The InChIKey is WDUUBOFFEBNAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-12-8-13(2)19(18(9-12)26-5)14(3)22-20(25)21-11-16-10-17(15-6-7-15)23-24(16)4/h8-10,14-15H,6-7,11H2,1-5H3,(H2,21,22,25).
What are the key properties of 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea?
1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea has a molecular weight of 356.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-1-methylpyrazol-5-yl)methyl]-3-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 154870826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).