1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea

C18H24N4O2 — CID 75390183

IUPAC1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea
SMILESCc1ccc(C)c(-n2ncc(NC(=O)NC3(C)CCOC3)c2C)c1
InChIInChI=1S/C18H24N4O2/c1-12-5-6-13(2)16(9-12)22-14(3)15(10-19-22)20-17(23)21-18(4)7-8-24-11-18/h5-6,9-10H,7-8,11H2,1-4H3,(H2,20,21,23)
InChIKeyZYLYEXQMHCOLBL-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea

1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea (PubChem CID 75390183) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea
PubChem CID75390183
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea
SMILESCc1ccc(C)c(-n2ncc(NC(=O)NC3(C)CCOC3)c2C)c1
InChIInChI=1S/C18H24N4O2/c1-12-5-6-13(2)16(9-12)22-14(3)15(10-19-22)20-17(23)21-18(4)7-8-24-11-18/h5-6,9-10H,7-8,11H2,1-4H3,(H2,20,21,23)
InChIKeyZYLYEXQMHCOLBL-UHFFFAOYSA-N
XLogP3.10
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Ethylpyrazol-4-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 53506358
1-(2-Morpholin-4-ylethyl)-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 53554854
1-[5-Methyl-2-(4-methylpyrazol-1-yl)phenyl]-3-(3-methyloxolan-3-yl)urea
CID 71967434
1-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 72719650
1-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3-(o-tolyl)urea
CID 71810277
3-benzyl-1-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}urea
CID 97428194
1-(5-Fluoro-2-methylphenyl)-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]urea
CID 53621760
1-(2-Methoxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 72133206
2-ethoxy-N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]acetamide
CID 99835548
N-[5-ethyl-1-(3-methylphenyl)pyrazol-4-yl]azepane-1-carboxamide
CID 119049040
5-methyl-N-[1-(3-methylphenyl)-5-propylpyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 128224621
(4S)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-oxa-1-azaspiro[3.4]octane-1-carboxamide
CID 164639585

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea (CID 75390183) is 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea is Cc1ccc(C)c(-n2ncc(NC(=O)NC3(C)CCOC3)c2C)c1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea?
The InChIKey is ZYLYEXQMHCOLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-5-6-13(2)16(9-12)22-14(3)15(10-19-22)20-17(23)21-18(4)7-8-24-11-18/h5-6,9-10H,7-8,11H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea?
1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-3-(3-methyloxolan-3-yl)urea is sourced from PubChem (CID 75390183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).