N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane

C21H25N3O — CID 91134825

IUPACN-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
SMILESCC.Cc1cc(C(=O)NC2CC2)cc(-c2ccc3[nH]ncc3c2)c1C
InChIInChI=1S/C19H19N3O.C2H6/c1-11-7-14(19(23)21-16-4-5-16)9-17(12(11)2)13-3-6-18-15(8-13)10-20-22-18;1-2/h3,6-10,16H,4-5H2,1-2H3,(H,20,22)(H,21,23);1-2H3
InChIKeyWXYYHHSYPKBVFX-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.77
Rot. Bonds3

About N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane

N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane (PubChem CID 91134825) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane.

Molecular Properties

Compound NameN-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
PubChem CID91134825
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane
SMILESCC.Cc1cc(C(=O)NC2CC2)cc(-c2ccc3[nH]ncc3c2)c1C
InChIInChI=1S/C19H19N3O.C2H6/c1-11-7-14(19(23)21-16-4-5-16)9-17(12(11)2)13-3-6-18-15(8-13)10-20-22-18;1-2/h3,6-10,16H,4-5H2,1-2H3,(H,20,22)(H,21,23);1-2H3
InChIKeyWXYYHHSYPKBVFX-UHFFFAOYSA-N
XLogP4.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348
N-(3-methylcyclopentyl)-1H-indazole-5-carboxamide
CID 114550169
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507
3-(1H-indazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030707
3-[3-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4,5-dimethylbenzamide
CID 135294127
N-cyclopropyl-3-[2-(1H-indazol-6-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzamide
CID 15986953
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(1-methylazepan-3-yl)-1H-indazole-5-carboxamide
CID 22933430
N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
N-methyl-1H-indazole-5-carboxamide
CID 22934041
3-bromo-N-cyclopropyl-4,5-dimethylbenzamide
CID 18457798

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane?
The IUPAC name of N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane (CID 91134825) is N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane.
What is the SMILES notation for N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane?
The canonical SMILES for N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane is CC.Cc1cc(C(=O)NC2CC2)cc(-c2ccc3[nH]ncc3c2)c1C.
What is the InChIKey of N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane?
The InChIKey is WXYYHHSYPKBVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O.C2H6/c1-11-7-14(19(23)21-16-4-5-16)9-17(12(11)2)13-3-6-18-15(8-13)10-20-22-18;1-2/h3,6-10,16H,4-5H2,1-2H3,(H,20,22)(H,21,23);1-2H3.
What are the key properties of N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane?
N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane has a molecular weight of 335.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1H-indazol-5-yl)-4,5-dimethylbenzamide;ethane is sourced from PubChem (CID 91134825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).