1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone

C15H18N2O — CID 68715451

IUPAC1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone
SMILESCCc1nn(CC2CC2)c2cc(C(C)=O)ccc12
InChIInChI=1S/C15H18N2O/c1-3-14-13-7-6-12(10(2)18)8-15(13)17(16-14)9-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3
InChIKeyKJJZEIBNPCRTHN-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.21
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone

1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone (PubChem CID 68715451) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone
PubChem CID68715451
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone
SMILESCCc1nn(CC2CC2)c2cc(C(C)=O)ccc12
InChIInChI=1S/C15H18N2O/c1-3-14-13-7-6-12(10(2)18)8-15(13)17(16-14)9-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3
InChIKeyKJJZEIBNPCRTHN-UHFFFAOYSA-N
XLogP3.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-ethyl-N-(methoxymethyl)indazole-6-carboxamide
CID 68710206
1-(cyclopropylmethyl)-3-(6-methyl-2-pyridinyl)indazole-6-carboxylic acid
CID 162690964
1-(3-chloro-1-ethylindazol-6-yl)ethanone
CID 84725186
1-cyclopentyl-3-ethyl-N-(2-methylsulfanylethyl)indazole-6-carboxamide
CID 21360894
1-(cyclopropylmethyl)-3,6-dimethylindazole
CID 129023140
1-cyclohex-2-en-1-yl-3-ethylindazole-6-carboxylic acid
CID 21183700
1-[1-(cyclopentylmethyl)indol-6-yl]ethanone
CID 115106717
1-cyclopentyl-6-[(Z)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
CID 15429395
1-cyclopentyl-6-[(E)-1,2-dipyridin-4-ylethenyl]-3-ethylindazole
CID 70047905
ethyl 2-[1-[(1-methylazetidin-3-yl)methyl]indazol-3-yl]acetate
CID 57481633
methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate
CID 123804956
1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
CID 178171699

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone (CID 68715451) is 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone is CCc1nn(CC2CC2)c2cc(C(C)=O)ccc12.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone?
The InChIKey is KJJZEIBNPCRTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-14-13-7-6-12(10(2)18)8-15(13)17(16-14)9-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone?
1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-3-ethylindazol-6-yl]ethanone is sourced from PubChem (CID 68715451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).