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

C10H14N2O — CID 19371779

IUPAC1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCC(C)n1ncc2c1CCCC2=O
InChIInChI=1S/C10H14N2O/c1-7(2)12-9-4-3-5-10(13)8(9)6-11-12/h6-7H,3-5H2,1-2H3
InChIKeyMFAODIIKLUBHJR-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.98
Rot. Bonds1

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

1-propan-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 19371779) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID19371779
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESCC(C)n1ncc2c1CCCC2=O
InChIInChI=1S/C10H14N2O/c1-7(2)12-9-4-3-5-10(13)8(9)6-11-12/h6-7H,3-5H2,1-2H3
InChIKeyMFAODIIKLUBHJR-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-3-Methyl-6,7-Dihydro-5~{h}-Indazol-4-One
CID 660882
1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
2-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166632413
1-(cyclopropanecarbonyl)-6,7-dihydro-5H-indazol-4-one
CID 166632542
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione
CID 11345326
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 14435009
4-oxo-6,7-dihydro-5H-indazole-1-carboximidamide;hydrochloride
CID 354982
1,2-Diethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazolium iodide
CID 9550227
5-Dipropylamino-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 11694483
1-benzyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4738558
1-[1-(4-Aminocyclohexyl)-5-methylpyrazol-4-yl]butan-1-one
CID 90105500
1-[1-(1-Amino-piperidin-4-yl)-5-methyl-1H-pyrazol-4-yl]butan-1-one
CID 90105536

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one (CID 19371779) is 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one is CC(C)n1ncc2c1CCCC2=O.
What is the InChIKey of 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is MFAODIIKLUBHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)12-9-4-3-5-10(13)8(9)6-11-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one?
1-propan-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 19371779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).