2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one

C12H14N2O — CID 59765588

IUPAC2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
SMILESCc1[nH]nc2ccc(C(=O)C(C)C)cc12
InChIInChI=1S/C12H14N2O/c1-7(2)12(15)9-4-5-11-10(6-9)8(3)13-14-11/h4-7H,1-3H3,(H,13,14)
InChIKeyMFUVZPUTEHHOQA-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one

2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one (PubChem CID 59765588) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
PubChem CID59765588
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
SMILESCc1[nH]nc2ccc(C(=O)C(C)C)cc12
InChIInChI=1S/C12H14N2O/c1-7(2)12(15)9-4-5-11-10(6-9)8(3)13-14-11/h4-7H,1-3H3,(H,13,14)
InChIKeyMFUVZPUTEHHOQA-UHFFFAOYSA-N
XLogP2.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one (CID 59765588) is 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one is Cc1[nH]nc2ccc(C(=O)C(C)C)cc12.
What is the InChIKey of 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one?
The InChIKey is MFUVZPUTEHHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7(2)12(15)9-4-5-11-10(6-9)8(3)13-14-11/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one?
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one is sourced from PubChem (CID 59765588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).