1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

C22H26N4O2 — CID 78833843

IUPAC1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1cccc(OCCN(C)C(=O)NCCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-18-5-3-6-21(17-18)28-16-15-25(2)22(27)23-13-11-19-7-9-20(10-8-19)26-14-4-12-24-26/h3-10,12,14,17H,11,13,15-16H2,1-2H3,(H,23,27)
InChIKeyPJILZMMQVRTNAQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.44
Rot. Bonds8

About 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea

1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (PubChem CID 78833843) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
PubChem CID78833843
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
SMILESCc1cccc(OCCN(C)C(=O)NCCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C22H26N4O2/c1-18-5-3-6-21(17-18)28-16-15-25(2)22(27)23-13-11-19-7-9-20(10-8-19)26-14-4-12-24-26/h3-10,12,14,17H,11,13,15-16H2,1-2H3,(H,23,27)
InChIKeyPJILZMMQVRTNAQ-UHFFFAOYSA-N
XLogP3.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608922
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 109397532
1-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111864107
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
3-[methyl-[2-(3-propoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122007167
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 30761257
2-[3-[[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111999293
(4-pyrazol-1-ylphenyl)methyl 2-(3-methylphenoxy)propanoate
CID 45351385
2-[3-[[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111999292
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The IUPAC name of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea (CID 78833843) is 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The canonical SMILES for 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is Cc1cccc(OCCN(C)C(=O)NCCc2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
The InChIKey is PJILZMMQVRTNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-18-5-3-6-21(17-18)28-16-15-25(2)22(27)23-13-11-19-7-9-20(10-8-19)26-14-4-12-24-26/h3-10,12,14,17H,11,13,15-16H2,1-2H3,(H,23,27).
What are the key properties of 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea?
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea has a molecular weight of 378.48 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea is sourced from PubChem (CID 78833843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).