5-chloro-3-ethyl-1-propylindazole

C12H15ClN2 — CID 123245201

IUPAC5-chloro-3-ethyl-1-propylindazole
SMILESCCCn1nc(CC)c2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-7-15-12-6-5-9(13)8-10(12)11(4-2)14-15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOEVDOXOVSGSKEP-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.66
Rot. Bonds3

About 5-chloro-3-ethyl-1-propylindazole

5-chloro-3-ethyl-1-propylindazole (PubChem CID 123245201) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-propylindazole.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-propylindazole
PubChem CID123245201
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name5-chloro-3-ethyl-1-propylindazole
SMILESCCCn1nc(CC)c2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2/c1-3-7-15-12-6-5-9(13)8-10(12)11(4-2)14-15/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOEVDOXOVSGSKEP-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dipropylindazole
CID 174534089
3-(5-chloro-3-methylindazol-1-yl)propanoic acid
CID 84700878
5-chloro-1-propan-2-yl-3-propylindazole
CID 66838271
3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole
CID 123502143
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
1-(5-chloro-1-methylindazol-3-yl)propan-1-amine
CID 57140660
ethane;3-methyl-1-propylindazole
CID 144653830
6-chloro-4-ethoxy-2-propylphthalazin-1-one
CID 59987100
5-chloro-2-ethyl-1-propylbenzimidazole
CID 46310723
3-ethyl-1-methylindazol-5-amine
CID 68609782
(2,5-dichloro-1-propylindol-3-yl)methanol
CID 82268729
5-chloro-1-[2-(2-chloroethoxy)ethyl]-3-iodoindazole
CID 86723153

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-propylindazole?
The IUPAC name of 5-chloro-3-ethyl-1-propylindazole (CID 123245201) is 5-chloro-3-ethyl-1-propylindazole.
What is the SMILES notation for 5-chloro-3-ethyl-1-propylindazole?
The canonical SMILES for 5-chloro-3-ethyl-1-propylindazole is CCCn1nc(CC)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-ethyl-1-propylindazole?
The InChIKey is OEVDOXOVSGSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-3-7-15-12-6-5-9(13)8-10(12)11(4-2)14-15/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-1-propylindazole?
5-chloro-3-ethyl-1-propylindazole has a molecular weight of 222.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-propylindazole is sourced from PubChem (CID 123245201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).