3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one

C12H18N2O — CID 82590512

IUPAC3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(C(C)C)c2c1C(=O)CCC2
InChIInChI=1S/C12H18N2O/c1-4-9-12-10(6-5-7-11(12)15)14(13-9)8(2)3/h8H,4-7H2,1-3H3
InChIKeyGUTGSDMVELKWBO-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.55
Rot. Bonds2

About 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one

3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590512) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID82590512
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCCc1nn(C(C)C)c2c1C(=O)CCC2
InChIInChI=1S/C12H18N2O/c1-4-9-12-10(6-5-7-11(12)15)14(13-9)8(2)3/h8H,4-7H2,1-3H3
InChIKeyGUTGSDMVELKWBO-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590685
1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 82590514
1-benzyl-3-ethyl-6,7-dihydro-5H-indazol-4-one
CID 82590651
3-ethyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586537
1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
CID 82590520
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole
CID 153416742
3,5-diethyl-4-(2,3,4,5,6-pentamethylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153416741
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 112711168
4-ethyl-7,8-dihydro-6H-quinazolin-5-one
CID 122697023
1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590474
4-(3,5-dimethylphenyl)-3,5-diethyl-1-propan-2-ylpyrazole
CID 153415039
3-butyl-1-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 4988994

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one (CID 82590512) is 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one is CCc1nn(C(C)C)c2c1C(=O)CCC2.
What is the InChIKey of 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GUTGSDMVELKWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9-12-10(6-5-7-11(12)15)14(13-9)8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 206.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).