2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone

C12H13N3O — CID 82393844

IUPAC2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
SMILESCc1cnn(-c2ccc(C(=O)CN)cc2)c1
InChIInChI=1S/C12H13N3O/c1-9-7-14-15(8-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6,13H2,1H3
InChIKeyTYMFJPIMXXDPDL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.32
Rot. Bonds3

About 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone

2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone (PubChem CID 82393844) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
PubChem CID82393844
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
SMILESCc1cnn(-c2ccc(C(=O)CN)cc2)c1
InChIInChI=1S/C12H13N3O/c1-9-7-14-15(8-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6,13H2,1H3
InChIKeyTYMFJPIMXXDPDL-UHFFFAOYSA-N
XLogP1.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N-(1-amino-4-methylpentan-2-yl)-4-(4-methylpyrazol-1-yl)benzamide
CID 119586560
2-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 63815889
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
N-(2-hydroxy-2,3-dimethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 111484297
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 119662578
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 99698437
2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
CID 84732384
(1R)-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanamine
CID 78937565
1-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]cycloheptane-1-carboxylic acid
CID 120538733

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone (CID 82393844) is 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone is Cc1cnn(-c2ccc(C(=O)CN)cc2)c1.
What is the InChIKey of 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone?
The InChIKey is TYMFJPIMXXDPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-7-14-15(8-9)11-4-2-10(3-5-11)12(16)6-13/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone?
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone has a molecular weight of 215.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 82393844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).