2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide

C15H20N4O — CID 115767897

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
SMILESCc1nn(C)cc1CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N4O/c1-11-13(10-19(3)18-11)9-16-12(2)15(20)17-14-7-5-4-6-8-14/h4-8,10,12,16H,9H2,1-3H3,(H,17,20)
InChIKeyPZVMCFUYBOJKPZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.85
Rot. Bonds5

About 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide (PubChem CID 115767897) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
PubChem CID115767897
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
SMILESCc1nn(C)cc1CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N4O/c1-11-13(10-19(3)18-11)9-16-12(2)15(20)17-14-7-5-4-6-8-14/h4-8,10,12,16H,9H2,1-3H3,(H,17,20)
InChIKeyPZVMCFUYBOJKPZ-UHFFFAOYSA-N
XLogP1.85
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ripazepam
CID 33474
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
N-(3-fluorophenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 831887
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 844489

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide (CID 115767897) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide is Cc1nn(C)cc1CNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide?
The InChIKey is PZVMCFUYBOJKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-13(10-19(3)18-11)9-16-12(2)15(20)17-14-7-5-4-6-8-14/h4-8,10,12,16H,9H2,1-3H3,(H,17,20).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 115767897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).