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

C17H22N2O — CID 103124705

IUPAC(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
SMILESCCC1CCC(C(=O)c2nn(C)c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-3-12-8-10-13(11-9-12)17(20)16-14-6-4-5-7-15(14)19(2)18-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyIXDKKEMHKDGALF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.97
Rot. Bonds3

About (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone

(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone (PubChem CID 103124705) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
PubChem CID103124705
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
SMILESCCC1CCC(C(=O)c2nn(C)c3ccccc23)CC1
InChIInChI=1S/C17H22N2O/c1-3-12-8-10-13(11-9-12)17(20)16-14-6-4-5-7-15(14)19(2)18-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyIXDKKEMHKDGALF-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

(3-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124726
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
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
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
1-(1-methylindazol-3-yl)-2-(oxan-4-yl)ethanone
CID 103124360
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone (CID 103124705) is (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone is CCC1CCC(C(=O)c2nn(C)c3ccccc23)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
The InChIKey is IXDKKEMHKDGALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-12-8-10-13(11-9-12)17(20)16-14-6-4-5-7-15(14)19(2)18-16/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone?
(4-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 (4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 103124705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).