1-(3-propan-2-yl-2H-indazol-6-yl)ethanone

C12H14N2O — CID 105454475

IUPAC1-(3-propan-2-yl-2H-indazol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(C(C)C)[nH]nc2c1
InChIInChI=1S/C12H14N2O/c1-7(2)12-10-5-4-9(8(3)15)6-11(10)13-14-12/h4-7H,1-3H3,(H,13,14)
InChIKeyMMVCXQYSLZQDLO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.89
Rot. Bonds2

About 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone

1-(3-propan-2-yl-2H-indazol-6-yl)ethanone (PubChem CID 105454475) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yl-2H-indazol-6-yl)ethanone
PubChem CID105454475
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(3-propan-2-yl-2H-indazol-6-yl)ethanone
SMILESCC(=O)c1ccc2c(C(C)C)[nH]nc2c1
InChIInChI=1S/C12H14N2O/c1-7(2)12-10-5-4-9(8(3)15)6-11(10)13-14-12/h4-7H,1-3H3,(H,13,14)
InChIKeyMMVCXQYSLZQDLO-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
CID 105491045
6-chloro-3-propan-2-yl-2H-indazole
CID 118042502
1-(3-chloro-2H-indazol-5-yl)ethanone
CID 69031597
ethane;3-propan-2-yl-2H-indazole
CID 167622577
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
CID 105491035
2-(6-fluoro-2H-indazol-3-yl)propanoic acid
CID 83909181
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
methyl 3-methyl-2H-indazole-6-carboxylate
CID 22387979
CID 156813842
CID 156813842
3-(2-methylpropyl)-2H-indazole-5-carboxylic acid
CID 105472301
5-butan-2-yl-3-propan-2-yl-2H-indazole
CID 166843518

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone?
The IUPAC name of 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone (CID 105454475) is 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone is CC(=O)c1ccc2c(C(C)C)[nH]nc2c1.
What is the InChIKey of 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone?
The InChIKey is MMVCXQYSLZQDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7(2)12-10-5-4-9(8(3)15)6-11(10)13-14-12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone?
1-(3-propan-2-yl-2H-indazol-6-yl)ethanone has a molecular weight of 202.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-2H-indazol-6-yl)ethanone is sourced from PubChem (CID 105454475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).