1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea

C22H26N4O2 — CID 38221139

IUPAC1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C22H26N4O2/c1-15-9-11-19(12-10-15)26-17(3)20(14-24-26)16(2)25-22(27)23-13-18-7-5-6-8-21(18)28-4/h5-12,14,16H,13H2,1-4H3,(H2,23,25,27)/t16-/m1/s1
InChIKeyLGXFYXQZJHKPAJ-MRXNPFEDSA-N
MW378.48 g/mol
LogP4.06
Rot. Bonds6

About 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea

1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea (PubChem CID 38221139) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
PubChem CID38221139
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
SMILESCOc1ccccc1CNC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C
InChIInChI=1S/C22H26N4O2/c1-15-9-11-19(12-10-15)26-17(3)20(14-24-26)16(2)25-22(27)23-13-18-7-5-6-8-21(18)28-4/h5-12,14,16H,13H2,1-4H3,(H2,23,25,27)/t16-/m1/s1
InChIKeyLGXFYXQZJHKPAJ-MRXNPFEDSA-N
XLogP4.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 75444197
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CID 38152013
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
CID 42954742
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
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2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 97114066
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38149207
2-(5-fluoro-2-methylphenyl)-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]acetamide
CID 97152826
1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea
CID 45249374
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
1-[1-(4-tert-butylphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 60541279
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea (CID 38221139) is 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea is COc1ccccc1CNC(=O)N[C@H](C)c1cnn(-c2ccc(C)cc2)c1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea?
The InChIKey is LGXFYXQZJHKPAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-9-11-19(12-10-15)26-17(3)20(14-24-26)16(2)25-22(27)23-13-18-7-5-6-8-21(18)28-4/h5-12,14,16H,13H2,1-4H3,(H2,23,25,27)/t16-/m1/s1.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea?
1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea has a molecular weight of 378.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-3-[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]urea is sourced from PubChem (CID 38221139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).