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

C19H26N4O2 — CID 71808370

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2nn(C)c3c2CCCC3)cc1
InChIInChI=1S/C19H26N4O2/c1-23-18-6-4-3-5-16(18)17(22-23)13-21-19(24)20-12-11-14-7-9-15(25-2)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H2,20,21,24)
InChIKeyVEPCNUCRXZOTGX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds6

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

1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea (PubChem CID 71808370) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
PubChem CID71808370
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2nn(C)c3c2CCCC3)cc1
InChIInChI=1S/C19H26N4O2/c1-23-18-6-4-3-5-16(18)17(22-23)13-21-19(24)20-12-11-14-7-9-15(25-2)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H2,20,21,24)
InChIKeyVEPCNUCRXZOTGX-UHFFFAOYSA-N
XLogP2.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 71808650
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
2-methyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808271
2,2-dimethyl-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]propanamide
CID 71808274
1-(cyclopentylidenemethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108913488
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121048747
1-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60543673
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 110936434
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552
1-[2-(4-methoxyphenyl)ethyl]-3-octadecylurea
CID 139817703
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea (CID 71808370) is 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea is COc1ccc(CCNC(=O)NCc2nn(C)c3c2CCCC3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
The InChIKey is VEPCNUCRXZOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23-18-6-4-3-5-16(18)17(22-23)13-21-19(24)20-12-11-14-7-9-15(25-2)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea?
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]urea is sourced from PubChem (CID 71808370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).