3-(4-chlorophenyl)-1-methylindazole

C14H11ClN2 — CID 673303

IUPAC3-(4-chlorophenyl)-1-methylindazole
SMILESCn1nc(-c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H11ClN2/c1-17-13-5-3-2-4-12(13)14(16-17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyXGWCJWBWXPYVPN-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.89
Rot. Bonds1

About 3-(4-chlorophenyl)-1-methylindazole

3-(4-chlorophenyl)-1-methylindazole (PubChem CID 673303) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methylindazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methylindazole
PubChem CID673303
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-(4-chlorophenyl)-1-methylindazole
SMILESCn1nc(-c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H11ClN2/c1-17-13-5-3-2-4-12(13)14(16-17)10-6-8-11(15)9-7-10/h2-9H,1H3
InChIKeyXGWCJWBWXPYVPN-UHFFFAOYSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lxr-623
CID 16734800
1-benzyl-1H-indazole
CID 797066
2-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137979
2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137981
2-[(4-chloro-2-fluorophenyl)methyl]-3-(4-chlorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137982
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137983
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137984
3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137985
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-2H-indazole
CID 25137986
N-(3,4-dichlorophenyl)-1-(1-methylindazol-5-yl)methanimine
CID 77844772
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2H-indazole
CID 25137987
3-(4-Chloro-phenyl)-1-phenyl-4,5,6,7-tetrahydro-1H-indazole
CID 9948569

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methylindazole?
The IUPAC name of 3-(4-chlorophenyl)-1-methylindazole (CID 673303) is 3-(4-chlorophenyl)-1-methylindazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methylindazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-methylindazole is Cn1nc(-c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-1-methylindazole?
The InChIKey is XGWCJWBWXPYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-17-13-5-3-2-4-12(13)14(16-17)10-6-8-11(15)9-7-10/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methylindazole?
3-(4-chlorophenyl)-1-methylindazole has a molecular weight of 242.71 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methylindazole is sourced from PubChem (CID 673303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).