1-ethyl-2,5-dimethylindazol-3-one

C11H14N2O — CID 137435708

IUPAC1-ethyl-2,5-dimethylindazol-3-one
SMILESCCn1c2ccc(C)cc2c(=O)n1C
InChIInChI=1S/C11H14N2O/c1-4-13-10-6-5-8(2)7-9(10)11(14)12(13)3/h5-7H,4H2,1-3H3
InChIKeyBNIZZICQFXURKP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds1

About 1-ethyl-2,5-dimethylindazol-3-one

1-ethyl-2,5-dimethylindazol-3-one (PubChem CID 137435708) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethylindazol-3-one.

Molecular Properties

Compound Name1-ethyl-2,5-dimethylindazol-3-one
PubChem CID137435708
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-ethyl-2,5-dimethylindazol-3-one
SMILESCCn1c2ccc(C)cc2c(=O)n1C
InChIInChI=1S/C11H14N2O/c1-4-13-10-6-5-8(2)7-9(10)11(14)12(13)3/h5-7H,4H2,1-3H3
InChIKeyBNIZZICQFXURKP-UHFFFAOYSA-N
XLogP1.67
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-methyl-2H-indazol-3-one
CID 105436519
1,3,6-trimethylquinazoline-2,4-dione
CID 58376355
1,6-dimethyl-3-(methylaminomethyl)quinazoline-2,4-dione
CID 117262591
1-ethyl-4-hydroxy-6-methylquinolin-2-one
CID 54696301
3-(2-hydroxypropyl)-1,6-dimethylquinazoline-2,4-dione
CID 117262422
4-ethyl-1,7-dimethylpyrazolo[4,5-b]quinolin-9-one
CID 23442433
3-ethyl-6-methylquinazolin-4-one
CID 70641598
1-[(4-ethylpiperazin-1-yl)methyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 87012369
1,6-dimethylquinolin-4-one;ethane
CID 144950018
2-ethyl-1-(4-methyl-2-pyridinyl)indazol-3-one
CID 67851365
9-iodo-3,6-dimethylcarbazole
CID 129082868
1,6-dimethyl-3-[1-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262593

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethylindazol-3-one?
The IUPAC name of 1-ethyl-2,5-dimethylindazol-3-one (CID 137435708) is 1-ethyl-2,5-dimethylindazol-3-one.
What is the SMILES notation for 1-ethyl-2,5-dimethylindazol-3-one?
The canonical SMILES for 1-ethyl-2,5-dimethylindazol-3-one is CCn1c2ccc(C)cc2c(=O)n1C.
What is the InChIKey of 1-ethyl-2,5-dimethylindazol-3-one?
The InChIKey is BNIZZICQFXURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-13-10-6-5-8(2)7-9(10)11(14)12(13)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-2,5-dimethylindazol-3-one?
1-ethyl-2,5-dimethylindazol-3-one has a molecular weight of 190.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethylindazol-3-one is sourced from PubChem (CID 137435708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).