1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone

C17H17N3O — CID 91086105

IUPAC1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c(C)ccc3n[nH]c(C)c23)cc1
InChIInChI=1S/C17H17N3O/c1-10-4-9-15-16(11(2)19-20-15)17(10)18-14-7-5-13(6-8-14)12(3)21/h4-9,18H,1-3H3,(H,19,20)
InChIKeySZQUPXUNRUPUOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.13
Rot. Bonds3

About 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone

1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone (PubChem CID 91086105) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone
PubChem CID91086105
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2c(C)ccc3n[nH]c(C)c23)cc1
InChIInChI=1S/C17H17N3O/c1-10-4-9-15-16(11(2)19-20-15)17(10)18-14-7-5-13(6-8-14)12(3)21/h4-9,18H,1-3H3,(H,19,20)
InChIKeySZQUPXUNRUPUOK-UHFFFAOYSA-N
XLogP4.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]acetamide
CID 46912634
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[4-[[6-(2-ethyl-6-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865488
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
1-[4-[[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878137
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone
CID 135550759
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78767751

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone (CID 91086105) is 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2c(C)ccc3n[nH]c(C)c23)cc1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone?
The InChIKey is SZQUPXUNRUPUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-4-9-15-16(11(2)19-20-15)17(10)18-14-7-5-13(6-8-14)12(3)21/h4-9,18H,1-3H3,(H,19,20).
What are the key properties of 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone?
1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-2H-indazol-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 91086105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).