1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

C19H22N4O2 — CID 75478004

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCCc3ccnn3C)ccc2c1
InChIInChI=1S/C19H22N4O2/c1-23-17(8-10-22-23)7-9-20-19(24)21-13-14-3-4-16-12-18(25-2)6-5-15(16)11-14/h3-6,8,10-12H,7,9,13H2,1-2H3,(H2,20,21,24)
InChIKeyZDOGBSPHLZTHCF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.62
Rot. Bonds6

About 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 75478004) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID75478004
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCOc1ccc2cc(CNC(=O)NCCc3ccnn3C)ccc2c1
InChIInChI=1S/C19H22N4O2/c1-23-17(8-10-22-23)7-9-20-19(24)21-13-14-3-4-16-12-18(25-2)6-5-15(16)11-14/h3-6,8,10-12H,7,9,13H2,1-2H3,(H2,20,21,24)
InChIKeyZDOGBSPHLZTHCF-UHFFFAOYSA-N
XLogP2.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[2-(3,5-dichlorophenyl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522807
1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 24612629
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(3-bromophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898814
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-[2-(furan-3-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 90558552

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 75478004) is 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is COc1ccc2cc(CNC(=O)NCCc3ccnn3C)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is ZDOGBSPHLZTHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23-17(8-10-22-23)7-9-20-19(24)21-13-14-3-4-16-12-18(25-2)6-5-15(16)11-14/h3-6,8,10-12H,7,9,13H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 75478004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).