1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

C17H24N6O — CID 75438164

IUPAC1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCN(C)c1cccc(CNC(=O)Nc2cc(C3CCC3)nn2C)n1
InChIInChI=1S/C17H24N6O/c1-22(2)15-9-5-8-13(19-15)11-18-17(24)20-16-10-14(21-23(16)3)12-6-4-7-12/h5,8-10,12H,4,6-7,11H2,1-3H3,(H2,18,20,24)
InChIKeyUBGWWKSIHAVZJG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.47
Rot. Bonds5

About 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea

1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (PubChem CID 75438164) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
PubChem CID75438164
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
SMILESCN(C)c1cccc(CNC(=O)Nc2cc(C3CCC3)nn2C)n1
InChIInChI=1S/C17H24N6O/c1-22(2)15-9-5-8-13(19-15)11-18-17(24)20-16-10-14(21-23(16)3)12-6-4-7-12/h5,8-10,12H,4,6-7,11H2,1-3H3,(H2,18,20,24)
InChIKeyUBGWWKSIHAVZJG-UHFFFAOYSA-N
XLogP2.47
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea with MolForge

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Related Compounds

2-(benzylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2334593
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1-phenylethylamino)acetamide
CID 4695351
4-Methyl-2-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]-1,2,4-triazine-3,5-dione
CID 10736912
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-2-ylurea
CID 11024140
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-pyridin-3-ylurea
CID 11056782
1-Benzyl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149620060
2-[benzyl(ethyl)amino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2334502
N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)cyclobutanecarboxamide
CID 2997575
1-(3-Cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 150254433
[4-(2-Propylpyrazol-3-yl)-2-pyridinyl]urea
CID 68031138
[4-(2-Propan-2-ylpyrazol-3-yl)-2-pyridinyl]urea
CID 68031141
US9763922, Example 27
CID 138805948

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea (CID 75438164) is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is CN(C)c1cccc(CNC(=O)Nc2cc(C3CCC3)nn2C)n1.
What is the InChIKey of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
The InChIKey is UBGWWKSIHAVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-22(2)15-9-5-8-13(19-15)11-18-17(24)20-16-10-14(21-23(16)3)12-6-4-7-12/h5,8-10,12H,4,6-7,11H2,1-3H3,(H2,18,20,24).
What are the key properties of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea?
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea is sourced from PubChem (CID 75438164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).