1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone

C14H17N3O — CID 113259835

IUPAC1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2cnn(C)c2C)cc1
InChIInChI=1S/C14H17N3O/c1-10-13(9-16-17(10)3)8-15-14-6-4-12(5-7-14)11(2)18/h4-7,9,15H,8H2,1-3H3
InChIKeyZTZONACNBOBJDG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.54
Rot. Bonds4

About 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone

1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone (PubChem CID 113259835) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
PubChem CID113259835
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCc2cnn(C)c2C)cc1
InChIInChI=1S/C14H17N3O/c1-10-13(9-16-17(10)3)8-15-14-6-4-12(5-7-14)11(2)18/h4-7,9,15H,8H2,1-3H3
InChIKeyZTZONACNBOBJDG-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
methyl 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]acetate
CID 79570390
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-fluorobenzoic acid
CID 79578811
2-chloro-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoic acid
CID 106042702
4-(difluoromethylsulfanyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79579399
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
N-(2-amino-5-phenylphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
CID 44591258

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone (CID 113259835) is 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone is CC(=O)c1ccc(NCc2cnn(C)c2C)cc1.
What is the InChIKey of 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone?
The InChIKey is ZTZONACNBOBJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-13(9-16-17(10)3)8-15-14-6-4-12(5-7-14)11(2)18/h4-7,9,15H,8H2,1-3H3.
What are the key properties of 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone?
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone is sourced from PubChem (CID 113259835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).