3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole

C21H19ClN2O — CID 142721250

IUPAC3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole
SMILESCC(C)n1nc(Cl)c2cc(COc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C21H19ClN2O/c1-14(2)24-20-10-7-15(11-19(20)21(22)23-24)13-25-18-9-8-16-5-3-4-6-17(16)12-18/h3-12,14H,13H2,1-2H3
InChIKeyYXTOECYFKIKVIF-UHFFFAOYSA-N
MW350.85 g/mol
LogP6.00
Rot. Bonds4

About 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole

3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole (PubChem CID 142721250) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole.

Molecular Properties

Compound Name3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole
PubChem CID142721250
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole
SMILESCC(C)n1nc(Cl)c2cc(COc3ccc4ccccc4c3)ccc21
InChIInChI=1S/C21H19ClN2O/c1-14(2)24-20-10-7-15(11-19(20)21(22)23-24)13-25-18-9-8-16-5-3-4-6-17(16)12-18/h3-12,14H,13H2,1-2H3
InChIKeyYXTOECYFKIKVIF-UHFFFAOYSA-N
XLogP6.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]naphthalene-2-carbaldehyde
CID 90356371
potassium 3-chloro-5-[(5-chloro-7,8-dihydro-6H-naphthalen-6-id-2-yl)oxymethyl]-1-propan-2-ylindazole
CID 175815987
3-chloro-5-[(5-methyl-7,8-dihydronaphthalen-2-yl)oxymethyl]-1-propan-2-ylindazole
CID 142721259
1-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]propan-2-ol
CID 174255619
5-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310917
3-chloro-5-[[4-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-7-yl]oxymethyl]-1-propan-2-ylindazole
CID 175952305
(3R)-1-[[1-chloro-6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 78322579
6-chloro-1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46310916
ethyl 3-(chloromethyl)-1-[[7-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]-2H-chromen-3-yl]methyl]azetidine-3-carboxylate
CID 164580273
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
ethyl 1-[[1-chloro-6-[(3-chloro-1-propan-2-ylindazol-5-yl)methoxy]-3,4-dihydronaphthalen-2-yl]methyl]-3-fluoropiperidine-3-carboxylate
CID 90355970
1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46310823

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole?
The IUPAC name of 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole (CID 142721250) is 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole.
What is the SMILES notation for 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole?
The canonical SMILES for 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole is CC(C)n1nc(Cl)c2cc(COc3ccc4ccccc4c3)ccc21.
What is the InChIKey of 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole?
The InChIKey is YXTOECYFKIKVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-14(2)24-20-10-7-15(11-19(20)21(22)23-24)13-25-18-9-8-16-5-3-4-6-17(16)12-18/h3-12,14H,13H2,1-2H3.
What are the key properties of 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole?
3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole has a molecular weight of 350.85 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(naphthalen-2-yloxymethyl)-1-propan-2-ylindazole is sourced from PubChem (CID 142721250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).