2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide

C14H18N4O — CID 78955434

IUPAC2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide
SMILESCC(NCc1ccn(C)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-11(15-10-13-8-9-18(2)17-13)14(19)16-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3,(H,16,19)
InChIKeyPXCLMXXAHIVTQL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.54
Rot. Bonds5

About 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide

2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide (PubChem CID 78955434) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide
PubChem CID78955434
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide
SMILESCC(NCc1ccn(C)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C14H18N4O/c1-11(15-10-13-8-9-18(2)17-13)14(19)16-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3,(H,16,19)
InChIKeyPXCLMXXAHIVTQL-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
CID 115767897
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
N-(3-methoxypropyl)-2-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82882044
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
2-bromo-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 107905639
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
2-[(3-methylthiophen-2-yl)methylamino]-N-phenylpropanamide
CID 112726245

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide (CID 78955434) is 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide is CC(NCc1ccn(C)n1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide?
The InChIKey is PXCLMXXAHIVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(15-10-13-8-9-18(2)17-13)14(19)16-12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3,(H,16,19).
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide?
2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylamino]-N-phenylpropanamide is sourced from PubChem (CID 78955434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).