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

C14H18N4O — CID 112669565

IUPAC2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1nn(C)cc1CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-10-12(9-18(2)17-10)8-16-14(19)13(15)11-6-4-3-5-7-11/h3-7,9,13H,8,15H2,1-2H3,(H,16,19)
InChIKeySDAKUSWNXYZSJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.04
Rot. Bonds4

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

2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 112669565) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
PubChem CID112669565
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1nn(C)cc1CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-10-12(9-18(2)17-10)8-16-14(19)13(15)11-6-4-3-5-7-11/h3-7,9,13H,8,15H2,1-2H3,(H,16,19)
InChIKeySDAKUSWNXYZSJI-UHFFFAOYSA-N
XLogP1.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-phenylacetamide
CID 19288393
(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 114125272
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-2-phenylacetamide
CID 104941421
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
(2S)-2-amino-N-[(4-methylthiophen-3-yl)methyl]-2-phenylacetamide
CID 104898150
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide (CID 112669565) is 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide is Cc1nn(C)cc1CNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is SDAKUSWNXYZSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-12(9-18(2)17-10)8-16-14(19)13(15)11-6-4-3-5-7-11/h3-7,9,13H,8,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide?
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 112669565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).