1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea

C29H32N4O2 — CID 6624841

IUPAC1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCc1ccc(CN(Cc2cn[nH]c2-c2ccc(OC)cc2)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C29H32N4O2/c1-4-22-9-11-24(12-10-22)19-33(29(34)30-17-23-7-5-21(2)6-8-23)20-26-18-31-32-28(26)25-13-15-27(35-3)16-14-25/h5-16,18H,4,17,19-20H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyGJCQTEIDYMTEEI-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.87
Rot. Bonds9

About 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea

1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 6624841) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea
PubChem CID6624841
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea
SMILESCCc1ccc(CN(Cc2cn[nH]c2-c2ccc(OC)cc2)C(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C29H32N4O2/c1-4-22-9-11-24(12-10-22)19-33(29(34)30-17-23-7-5-21(2)6-8-23)20-26-18-31-32-28(26)25-13-15-27(35-3)16-14-25/h5-16,18H,4,17,19-20H2,1-3H3,(H,30,34)(H,31,32)
InChIKeyGJCQTEIDYMTEEI-UHFFFAOYSA-N
XLogP5.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(4-ethylphenyl)methyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]carbamoyl]amino]propanoate
CID 46271118
ethyl 3-[[(4-ethylphenyl)methyl-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]carbamoyl]amino]-3-phenylpropanoate
CID 46271119
3-(4-bromo-2-fluorophenyl)-1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]urea
CID 22510712
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
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CID 71824428
4-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]aniline
CID 112839432
N-[(4-ethoxyphenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824423
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea (CID 6624841) is 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea is CCc1ccc(CN(Cc2cn[nH]c2-c2ccc(OC)cc2)C(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is GJCQTEIDYMTEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-4-22-9-11-24(12-10-22)19-33(29(34)30-17-23-7-5-21(2)6-8-23)20-26-18-31-32-28(26)25-13-15-27(35-3)16-14-25/h5-16,18H,4,17,19-20H2,1-3H3,(H,30,34)(H,31,32).
What are the key properties of 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea?
1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 468.60 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 6624841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).