N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide

C14H17N3O — CID 19288393

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1nn(C)cc1CNC(=O)Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-11-13(10-17(2)16-11)9-15-14(18)8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyDSNYHCLEPYSYIE-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.59
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 19288393) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
PubChem CID19288393
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1nn(C)cc1CNC(=O)Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-11-13(10-17(2)16-11)9-15-14(18)8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyDSNYHCLEPYSYIE-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 115991487
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671950

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide (CID 19288393) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide is Cc1nn(C)cc1CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is DSNYHCLEPYSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-13(10-17(2)16-11)9-15-14(18)8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 243.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 19288393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).