1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea

C19H20N4O2 — CID 35274063

IUPAC1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
SMILESCOc1cccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1
InChIInChI=1S/C19H20N4O2/c1-14-6-3-4-7-15(14)13-23-11-10-18(22-23)21-19(24)20-16-8-5-9-17(12-16)25-2/h3-12H,13H2,1-2H3,(H2,20,21,22,24)
InChIKeySPYDJRMBNLLCOC-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea

1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea (PubChem CID 35274063) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
PubChem CID35274063
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
SMILESCOc1cccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1
InChIInChI=1S/C19H20N4O2/c1-14-6-3-4-7-15(14)13-23-11-10-18(22-23)21-19(24)20-16-8-5-9-17(12-16)25-2/h3-12H,13H2,1-2H3,(H2,20,21,22,24)
InChIKeySPYDJRMBNLLCOC-UHFFFAOYSA-N
XLogP3.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 19405696
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274053
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830
1-(1-benzylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 17266369
1-(3,5-dimethoxyphenyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 167836219
2-(3,4-diethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 17088770
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)urea
CID 39853470
2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 35274045
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea (CID 35274063) is 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea is COc1cccc(NC(=O)Nc2ccn(Cc3ccccc3C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is SPYDJRMBNLLCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-6-3-4-7-15(14)13-23-11-10-18(22-23)21-19(24)20-16-8-5-9-17(12-16)25-2/h3-12H,13H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea?
1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 336.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 35274063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).