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

C17H23N3O — CID 959378

IUPAC2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-11(2)17(21)18-15-8-6-14(7-9-15)10-16-12(3)19-20(5)13(16)4/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyXNQDSSZZALIJGO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.22
Rot. Bonds4

About 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide

2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide (PubChem CID 959378) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
PubChem CID959378
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
SMILESCc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-11(2)17(21)18-15-8-6-14(7-9-15)10-16-12(3)19-20(5)13(16)4/h6-9,11H,10H2,1-5H3,(H,18,21)
InChIKeyXNQDSSZZALIJGO-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
CID 959379
2,2-dimethyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 959383
3-iodo-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 22781791
3-propan-2-yloxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]benzamide
CID 19629323
3-phenyl-2-(tetrazol-1-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 171132478
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 959425
2-methyl-3-[4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]propanoic acid
CID 120541424
2-(4-butan-2-ylphenoxy)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 19631449
4-methyl-N-[[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]carbamothioyl]benzamide
CID 19630327
5-chloro-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 19631270
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide (CID 959378) is 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide is Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
The InChIKey is XNQDSSZZALIJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)17(21)18-15-8-6-14(7-9-15)10-16-12(3)19-20(5)13(16)4/h6-9,11H,10H2,1-5H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide?
2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 959378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).