2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one

C12H18N2O — CID 140931632

IUPAC2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one
SMILESCC(C)C(=O)C1CCc2cnn(C)c2C1
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)9-4-5-10-7-13-14(3)11(10)6-9/h7-9H,4-6H2,1-3H3
InChIKeyZYYMIMYIVPSSAV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.75
Rot. Bonds2

About 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one

2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one (PubChem CID 140931632) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one
PubChem CID140931632
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one
SMILESCC(C)C(=O)C1CCc2cnn(C)c2C1
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)9-4-5-10-7-13-14(3)11(10)6-9/h7-9H,4-6H2,1-3H3
InChIKeyZYYMIMYIVPSSAV-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
2-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 24853638
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-one hydrochloride
CID 167742135
1-Methyl-4,5-dihydro-1H-indazol-6(7H)-one
CID 55263567
(5aR,9aS)-6,6,9a-trimethyl-2-(2,2,2-trifluoroethyl)-5,5a,8,9-tetrahydro-4H-benzo[g]indazol-7-one
CID 68173924
2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-indazol-5-one
CID 140151288
1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-indazol-5-one
CID 140151293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one (CID 140931632) is 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one is CC(C)C(=O)C1CCc2cnn(C)c2C1.
What is the InChIKey of 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one?
The InChIKey is ZYYMIMYIVPSSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)12(15)9-4-5-10-7-13-14(3)11(10)6-9/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one?
2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one has a molecular weight of 206.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methyl-4,5,6,7-tetrahydroindazol-6-yl)propan-1-one is sourced from PubChem (CID 140931632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).