1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

C18H24N4O2 — CID 51089236

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCc1ccccc1OCCNC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C18H24N4O2/c1-13-6-3-4-9-17(13)24-11-10-19-18(23)21-15-7-5-8-16-14(15)12-20-22(16)2/h3-4,6,9,12,15H,5,7-8,10-11H2,1-2H3,(H2,19,21,23)
InChIKeySEBLNJCITMLQGU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (PubChem CID 51089236) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
PubChem CID51089236
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCc1ccccc1OCCNC(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C18H24N4O2/c1-13-6-3-4-9-17(13)24-11-10-19-18(23)21-15-7-5-8-16-14(15)12-20-22(16)2/h3-4,6,9,12,15H,5,7-8,10-11H2,1-2H3,(H2,19,21,23)
InChIKeySEBLNJCITMLQGU-UHFFFAOYSA-N
XLogP2.48
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 55923777
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
1-[(2R)-2-anilino-3-methylbutyl]-3-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 94052333
1-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 97050779
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
1-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propylurea
CID 72867683
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
1-(1-benzylpiperidin-4-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 42956437
1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 136523674
2-(2-chlorophenoxy)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 56731318
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (CID 51089236) is 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is Cc1ccccc1OCCNC(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The InChIKey is SEBLNJCITMLQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-3-4-9-17(13)24-11-10-19-18(23)21-15-7-5-8-16-14(15)12-20-22(16)2/h3-4,6,9,12,15H,5,7-8,10-11H2,1-2H3,(H2,19,21,23).
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is sourced from PubChem (CID 51089236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).