5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole

C13H14ClN3 — CID 142316628

IUPAC5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole
SMILESCn1nc(C2=CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClN3/c1-17-12-3-2-10(14)8-11(12)13(16-17)9-4-6-15-7-5-9/h2-4,8,15H,5-7H2,1H3
InChIKeyOLYBPONLNGPLCK-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.60
Rot. Bonds1

About 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole

5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole (PubChem CID 142316628) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole
PubChem CID142316628
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole
SMILESCn1nc(C2=CCNCC2)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClN3/c1-17-12-3-2-10(14)8-11(12)13(16-17)9-4-6-15-7-5-9/h2-4,8,15H,5-7H2,1H3
InChIKeyOLYBPONLNGPLCK-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The IUPAC name of 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole (CID 142316628) is 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole.
What is the SMILES notation for 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The canonical SMILES for 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole is Cn1nc(C2=CCNCC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
The InChIKey is OLYBPONLNGPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17-12-3-2-10(14)8-11(12)13(16-17)9-4-6-15-7-5-9/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole?
5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole has a molecular weight of 247.73 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indazole is sourced from PubChem (CID 142316628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).