1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea

C17H24N4O — CID 155954557

IUPAC1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea
SMILESCC(C)CN(C)C(=O)NCCc1ccnn1-c1ccccc1
InChIInChI=1S/C17H24N4O/c1-14(2)13-20(3)17(22)18-11-9-16-10-12-19-21(16)15-7-5-4-6-8-15/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,18,22)
InChIKeyOJKJAXFDTLIUJK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.71
Rot. Bonds6

About 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea

1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea (PubChem CID 155954557) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea
PubChem CID155954557
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea
SMILESCC(C)CN(C)C(=O)NCCc1ccnn1-c1ccccc1
InChIInChI=1S/C17H24N4O/c1-14(2)13-20(3)17(22)18-11-9-16-10-12-19-21(16)15-7-5-4-6-8-15/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,18,22)
InChIKeyOJKJAXFDTLIUJK-UHFFFAOYSA-N
XLogP2.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine
CID 107331147
(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide
CID 95208811
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
2-methyl-3-[methyl-[2-(2-methylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 79757557
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
3-[2-(2-ethoxyphenyl)ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000462
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
2-methyl-3-(2-phenylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 107331259
5-benzyl-1-phenylpyrazole
CID 14003889
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea (CID 155954557) is 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea is CC(C)CN(C)C(=O)NCCc1ccnn1-c1ccccc1.
What is the InChIKey of 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea?
The InChIKey is OJKJAXFDTLIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14(2)13-20(3)17(22)18-11-9-16-10-12-19-21(16)15-7-5-4-6-8-15/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,18,22).
What are the key properties of 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea?
1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea has a molecular weight of 300.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 155954557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).