1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione

C14H14N2O2 — CID 103119190

IUPAC1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
SMILESCn1nc(C(=O)CC(=O)C2CC2)c2ccccc21
InChIInChI=1S/C14H14N2O2/c1-16-11-5-3-2-4-10(11)14(15-16)13(18)8-12(17)9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyGJSWRSWECGYYMI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.13
Rot. Bonds4

About 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione

1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione (PubChem CID 103119190) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
PubChem CID103119190
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
SMILESCn1nc(C(=O)CC(=O)C2CC2)c2ccccc21
InChIInChI=1S/C14H14N2O2/c1-16-11-5-3-2-4-10(11)14(15-16)13(18)8-12(17)9-6-7-9/h2-5,9H,6-8H2,1H3
InChIKeyGJSWRSWECGYYMI-UHFFFAOYSA-N
XLogP2.13
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
CID 103124360
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
[2-(1-methylindazol-3-yl)-2-oxoethyl] 2-(cyclopropanecarbonylamino)-3-hydroxybutanoate
CID 166350026
1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione
CID 103119517
1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 103119513
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
The IUPAC name of 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione (CID 103119190) is 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione is Cn1nc(C(=O)CC(=O)C2CC2)c2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
The InChIKey is GJSWRSWECGYYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16-11-5-3-2-4-10(11)14(15-16)13(18)8-12(17)9-6-7-9/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione?
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione has a molecular weight of 242.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione is sourced from PubChem (CID 103119190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).