cyclobutyl-(1-methylindazol-3-yl)methanone

C13H14N2O — CID 103125487

IUPACcyclobutyl-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)C2CCC2)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-15-11-8-3-2-7-10(11)12(14-15)13(16)9-5-4-6-9/h2-3,7-9H,4-6H2,1H3
InChIKeyCJTRLGFOMNJWIA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.56
Rot. Bonds2

About cyclobutyl-(1-methylindazol-3-yl)methanone

cyclobutyl-(1-methylindazol-3-yl)methanone (PubChem CID 103125487) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is cyclobutyl-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(1-methylindazol-3-yl)methanone
PubChem CID103125487
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Namecyclobutyl-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)C2CCC2)c2ccccc21
InChIInChI=1S/C13H14N2O/c1-15-11-8-3-2-7-10(11)12(14-15)13(16)9-5-4-6-9/h2-3,7-9H,4-6H2,1H3
InChIKeyCJTRLGFOMNJWIA-UHFFFAOYSA-N
XLogP2.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124726
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
[2-(chloromethyl)piperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103122365
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
CID 103122653
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(1-methylindazol-3-yl)methanone?
The IUPAC name of cyclobutyl-(1-methylindazol-3-yl)methanone (CID 103125487) is cyclobutyl-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for cyclobutyl-(1-methylindazol-3-yl)methanone?
The canonical SMILES for cyclobutyl-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)C2CCC2)c2ccccc21.
What is the InChIKey of cyclobutyl-(1-methylindazol-3-yl)methanone?
The InChIKey is CJTRLGFOMNJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-11-8-3-2-7-10(11)12(14-15)13(16)9-5-4-6-9/h2-3,7-9H,4-6H2,1H3.
What are the key properties of cyclobutyl-(1-methylindazol-3-yl)methanone?
cyclobutyl-(1-methylindazol-3-yl)methanone has a molecular weight of 214.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103125487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).