1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one

C15H16N2O2 — CID 82590474

IUPAC1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCn1nc(COc2ccccc2)c2c1CCCC2=O
InChIInChI=1S/C15H16N2O2/c1-17-13-8-5-9-14(18)15(13)12(16-17)10-19-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyFVISWVXRAKKWQQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.52
Rot. Bonds3

About 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one

1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590474) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
PubChem CID82590474
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one
SMILESCn1nc(COc2ccccc2)c2c1CCCC2=O
InChIInChI=1S/C15H16N2O2/c1-17-13-8-5-9-14(18)15(13)12(16-17)10-19-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKeyFVISWVXRAKKWQQ-UHFFFAOYSA-N
XLogP2.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropylsulfonyl-1-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 71837240
7,7-dimethyl-3-(phenoxymethyl)-1-(2,2,2-trifluoroethyl)-5,6-dihydroindazol-4-one
CID 22733033
3-[(4-nitrophenoxy)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 52810459
3-methyl-2-phenoxycyclohex-2-en-1-one
CID 139765949
1-methyl-3-(phenoxymethyl)pyridin-2-one
CID 11424456
3-cyclopropyl-1-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590693
3-butyl-1-(2-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 4988994
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
methyl 2-[5-methyl-3-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]acetate
CID 82586085
1-methyl-4-(phenoxymethyl)pyrazole-5-carboxylic acid
CID 117216611
3-methyl-2-(2-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 141011928
11-methyl-9,10-dihydro-8H-benzo[a]carbazol-7-one
CID 164675978

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one (CID 82590474) is 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one is Cn1nc(COc2ccccc2)c2c1CCCC2=O.
What is the InChIKey of 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is FVISWVXRAKKWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17-13-8-5-9-14(18)15(13)12(16-17)10-19-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one?
1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 256.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(phenoxymethyl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).