1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

C23H22N4O2 — CID 86966925

IUPAC1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCCOc1cccc2ccccc12)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H22N4O2/c28-23(25-17-18-6-3-9-20(16-18)27-14-5-12-26-27)24-13-15-29-22-11-4-8-19-7-1-2-10-21(19)22/h1-12,14,16H,13,15,17H2,(H2,24,25,28)
InChIKeyLTKVNRHRSHNMBU-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.90
Rot. Bonds7

About 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea

1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 86966925) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
PubChem CID86966925
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCCOc1cccc2ccccc12)NCc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H22N4O2/c28-23(25-17-18-6-3-9-20(16-18)27-14-5-12-26-27)24-13-15-29-22-11-4-8-19-7-1-2-10-21(19)22/h1-12,14,16H,13,15,17H2,(H2,24,25,28)
InChIKeyLTKVNRHRSHNMBU-UHFFFAOYSA-N
XLogP3.90
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.90
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-(1-benzothiophen-3-yl)ethyl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967080
2-methyl-1-(2-phenoxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111791291
1-(2-bromo-4-fluoroanilino)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967357
1-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86967368
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
CID 60544727
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629376
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 95629375
4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 86967084
1-[2-(2-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971033
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 29183806

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea (CID 86966925) is 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is O=C(NCCOc1cccc2ccccc12)NCc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is LTKVNRHRSHNMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-23(25-17-18-6-3-9-20(16-18)27-14-5-12-26-27)24-13-15-29-22-11-4-8-19-7-1-2-10-21(19)22/h1-12,14,16H,13,15,17H2,(H2,24,25,28).
What are the key properties of 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea?
1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 386.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yloxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 86966925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).