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

C17H22N2O — CID 103124726

IUPAC(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
SMILESCCC1CCCC(C(=O)c2nn(C)c3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-3-12-7-6-8-13(11-12)17(20)16-14-9-4-5-10-15(14)19(2)18-16/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3
InChIKeyITRHYPWLMPZBKB-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.97
Rot. Bonds3

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

(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103124726) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
PubChem CID103124726
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
SMILESCCC1CCCC(C(=O)c2nn(C)c3ccccc23)C1
InChIInChI=1S/C17H22N2O/c1-3-12-7-6-8-13(11-12)17(20)16-14-9-4-5-10-15(14)19(2)18-16/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3
InChIKeyITRHYPWLMPZBKB-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
(3-ethylcyclohexyl)-(3-ethyl-2-pyridinyl)methanone
CID 82731354
(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
CID 116603535
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
CID 67274324

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone (CID 103124726) is (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone is CCC1CCCC(C(=O)c2nn(C)c3ccccc23)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is ITRHYPWLMPZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-12-7-6-8-13(11-12)17(20)16-14-9-4-5-10-15(14)19(2)18-16/h4-5,9-10,12-13H,3,6-8,11H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103124726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).