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

C20H28N4O2 — CID 154870826

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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