1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea

C17H24N4O2 — CID 51085633

IUPAC1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCCOc1cc(C)ccc1NC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-5-8-23-16-9-13(2)6-7-15(16)19-17(22)20(3)11-14-10-18-21(4)12-14/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,22)
InChIKeyOIJMJHPOHDDUDD-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.18
Rot. Bonds6

About 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea

1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 51085633) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID51085633
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCCCOc1cc(C)ccc1NC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H24N4O2/c1-5-8-23-16-9-13(2)6-7-15(16)19-17(22)20(3)11-14-10-18-21(4)12-14/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,22)
InChIKeyOIJMJHPOHDDUDD-UHFFFAOYSA-N
XLogP3.18
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 51085633) is 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea is CCCOc1cc(C)ccc1NC(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is OIJMJHPOHDDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-8-23-16-9-13(2)6-7-15(16)19-17(22)20(3)11-14-10-18-21(4)12-14/h6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,22).
What are the key properties of 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 316.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methyl-2-propoxyphenyl)-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 51085633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).