N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide

C14H17N3O — CID 110442349

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-10-13(11(2)17-16-10)9-15-14(18)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOFGSGXYUABNCRK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.89
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 110442349) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
PubChem CID110442349
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCc1n[nH]c(C)c1CNC(=O)Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-10-13(11(2)17-16-10)9-15-14(18)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOFGSGXYUABNCRK-UHFFFAOYSA-N
XLogP1.89
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
CID 112528463
4-[[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]methyl]benzoic acid
CID 43171937
3-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 110460201
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74246771
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
2-(8-aminoquinolin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 110451145
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]acetamide
CID 99825884
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 126831793
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethoxy)benzamide
CID 75515842
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]acetamide
CID 43724210

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide (CID 110442349) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide is Cc1n[nH]c(C)c1CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is OFGSGXYUABNCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(11(2)17-16-10)9-15-14(18)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 243.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 110442349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).