N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide

C15H20N4O — CID 115768047

IUPACN-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCc1cn(C)nc1C
InChIInChI=1S/C15H20N4O/c1-11-14(10-19(3)18-11)9-16-8-13-6-4-5-7-15(13)17-12(2)20/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyRDDRYWAPWYZGBW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide

N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide (PubChem CID 115768047) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
PubChem CID115768047
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCc1cn(C)nc1C
InChIInChI=1S/C15H20N4O/c1-11-14(10-19(3)18-11)9-16-8-13-6-4-5-7-15(13)17-12(2)20/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyRDDRYWAPWYZGBW-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 80681991
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
CID 115767897
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 107236118
N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
CID 115732622
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 112669565
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide (CID 115768047) is N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCc1cn(C)nc1C.
What is the InChIKey of N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
The InChIKey is RDDRYWAPWYZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-14(10-19(3)18-11)9-16-8-13-6-4-5-7-15(13)17-12(2)20/h4-7,10,16H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide?
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 115768047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).