1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

C18H24N4O3 — CID 136527849

IUPAC1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C18H24N4O3/c1-21(11-14-5-7-16(24-2)8-6-14)18(23)20-15-10-19-22(12-15)13-17-4-3-9-25-17/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3,(H,20,23)
InChIKeyRRJJDGBOFGJUGH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.73
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea

1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (PubChem CID 136527849) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
PubChem CID136527849
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cnn(CC3CCCO3)c2)cc1
InChIInChI=1S/C18H24N4O3/c1-21(11-14-5-7-16(24-2)8-6-14)18(23)20-15-10-19-22(12-15)13-17-4-3-9-25-17/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3,(H,20,23)
InChIKeyRRJJDGBOFGJUGH-UHFFFAOYSA-N
XLogP2.73
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899324
1-(cyclobutylmethyl)-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567749
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
1-methyl-1-[(1R)-1-(4-methylphenyl)ethyl]-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 95899503
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322
1-[(1R)-1-(2-fluorophenyl)ethyl]-1-methyl-3-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96567744
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 51957951
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
1-ethyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1-(thiophen-2-ylmethyl)urea
CID 71867121

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea (CID 136527849) is 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is COc1ccc(CN(C)C(=O)Nc2cnn(CC3CCCO3)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
The InChIKey is RRJJDGBOFGJUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(11-14-5-7-16(24-2)8-6-14)18(23)20-15-10-19-22(12-15)13-17-4-3-9-25-17/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3,(H,20,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea?
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea has a molecular weight of 344.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea is sourced from PubChem (CID 136527849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).