5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one

C14H18N2O2 — CID 112754729

IUPAC5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
SMILESCOCCCCC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16-12-8-4-3-7-11(12)14(15-16)13(17)9-5-6-10-18-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyBWSNAYPUSIMBOL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.57
Rot. Bonds6

About 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one

5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one (PubChem CID 112754729) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
PubChem CID112754729
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
SMILESCOCCCCC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N2O2/c1-16-12-8-4-3-7-11(12)14(15-16)13(17)9-5-6-10-18-2/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyBWSNAYPUSIMBOL-UHFFFAOYSA-N
XLogP2.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)hex-4-yn-1-one
CID 103125315
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide
CID 103122845

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one?
The IUPAC name of 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one (CID 112754729) is 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one.
What is the SMILES notation for 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one?
The canonical SMILES for 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one is COCCCCC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one?
The InChIKey is BWSNAYPUSIMBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-12-8-4-3-7-11(12)14(15-16)13(17)9-5-6-10-18-2/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one?
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one is sourced from PubChem (CID 112754729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).