1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole

C16H14ClFN2 — CID 122176380

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole
SMILESCCc1nn(Cc2ccc(F)cc2Cl)c2ccccc12
InChIInChI=1S/C16H14ClFN2/c1-2-15-13-5-3-4-6-16(13)20(19-15)10-11-7-8-12(18)9-14(11)17/h3-9H,2,10H2,1H3
InChIKeyBQXVOASYCNWBSZ-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.44
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole

1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole (PubChem CID 122176380) has the molecular formula C16H14ClFN2 and a molecular weight of 288.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole
PubChem CID122176380
Molecular FormulaC16H14ClFN2
Molecular Weight288.75 g/mol
Exact Mass288.08
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole
SMILESCCc1nn(Cc2ccc(F)cc2Cl)c2ccccc12
InChIInChI=1S/C16H14ClFN2/c1-2-15-13-5-3-4-6-16(13)20(19-15)10-11-7-8-12(18)9-14(11)17/h3-9H,2,10H2,1H3
InChIKeyBQXVOASYCNWBSZ-UHFFFAOYSA-N
XLogP4.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.44
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
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-{[4-(trifluoromethyl)phenyl]methyl}-2H-indazole
CID 25137987
1-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]benzotriazole
CID 155523303

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole (CID 122176380) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole is CCc1nn(Cc2ccc(F)cc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole?
The InChIKey is BQXVOASYCNWBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2/c1-2-15-13-5-3-4-6-16(13)20(19-15)10-11-7-8-12(18)9-14(11)17/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole?
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole has a molecular weight of 288.75 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-ethylindazole is sourced from PubChem (CID 122176380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).