3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole

C15H16ClN3 — CID 132600580

IUPAC3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole
SMILESCCn1nc(Cl)c2ccc(-n3c(C)ccc3C)cc21
InChIInChI=1S/C15H16ClN3/c1-4-18-14-9-12(7-8-13(14)15(16)17-18)19-10(2)5-6-11(19)3/h5-9H,4H2,1-3H3
InChIKeyTTWGMRAQKSNMQA-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.12
Rot. Bonds2

About 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole

3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole (PubChem CID 132600580) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole.

Molecular Properties

Compound Name3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole
PubChem CID132600580
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole
SMILESCCn1nc(Cl)c2ccc(-n3c(C)ccc3C)cc21
InChIInChI=1S/C15H16ClN3/c1-4-18-14-9-12(7-8-13(14)15(16)17-18)19-10(2)5-6-11(19)3/h5-9H,4H2,1-3H3
InChIKeyTTWGMRAQKSNMQA-UHFFFAOYSA-N
XLogP4.12
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-1-ethylindazol-6-yl)ethanone
CID 84725186
1-ethyl-3,5-dimethylpyrazole
CID 565993
ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
CID 19086725
1-ethyl-3-methylindazole-6-sulfonyl chloride
CID 84729495
6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane
CID 144560439
1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
CID 23399439
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
1-(3,4-diethoxyphenyl)-2,5-dimethylpyrrole
CID 43394734
6-chloro-2-ethyl-5-methylpyridazin-3-one
CID 165172488
5-chloro-1-ethyl-3,6-dimethylpyrazolo[4,5-b]pyridine
CID 142608508
5-tert-butyl-3-(2,5-dimethylpyrrol-1-yl)-1-ethylpyrazole
CID 166833552
2-chloro-5-(2,5-dimethylpyrrol-1-yl)pyridine
CID 10965684

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole?
The IUPAC name of 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole (CID 132600580) is 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole.
What is the SMILES notation for 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole?
The canonical SMILES for 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole is CCn1nc(Cl)c2ccc(-n3c(C)ccc3C)cc21.
What is the InChIKey of 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole?
The InChIKey is TTWGMRAQKSNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-4-18-14-9-12(7-8-13(14)15(16)17-18)19-10(2)5-6-11(19)3/h5-9H,4H2,1-3H3.
What are the key properties of 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole?
3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole has a molecular weight of 273.77 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole is sourced from PubChem (CID 132600580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).