3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide

C18H25N3O — CID 959379

IUPAC3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C18H25N3O/c1-12(2)10-18(22)19-16-8-6-15(7-9-16)11-17-13(3)20-21(5)14(17)4/h6-9,12H,10-11H2,1-5H3,(H,19,22)
InChIKeyLOCJLMYBUBYTSW-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.61
Rot. Bonds5

About 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide

3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide (PubChem CID 959379) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
PubChem CID959379
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C18H25N3O/c1-12(2)10-18(22)19-16-8-6-15(7-9-16)11-17-13(3)20-21(5)14(17)4/h6-9,12H,10-11H2,1-5H3,(H,19,22)
InChIKeyLOCJLMYBUBYTSW-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959378
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
2-(4-butan-2-ylphenoxy)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 19631449
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 959425
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
2-methyl-3-[4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]propanoic acid
CID 120541424
3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629323
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692
3-(3-methoxy-1,2-oxazol-5-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 71709865
3-iodo-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 22781791
4-methyl-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide
CID 19630327
4-methyl-3-nitro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629363

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide (CID 959379) is 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide is Cc1nn(C)c(C)c1Cc1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide?
The InChIKey is LOCJLMYBUBYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12(2)10-18(22)19-16-8-6-15(7-9-16)11-17-13(3)20-21(5)14(17)4/h6-9,12H,10-11H2,1-5H3,(H,19,22).
What are the key properties of 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide?
3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide has a molecular weight of 299.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 959379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).