1-(azetidin-3-yl)-5-propan-2-ylindazole

C13H17N3 — CID 164739214

IUPAC1-(azetidin-3-yl)-5-propan-2-ylindazole
SMILESCC(C)c1ccc2c(cnn2C2CNC2)c1
InChIInChI=1S/C13H17N3/c1-9(2)10-3-4-13-11(5-10)6-15-16(13)12-7-14-8-12/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyBYTMWKGVQKLYSV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.30
Rot. Bonds2

About 1-(azetidin-3-yl)-5-propan-2-ylindazole

1-(azetidin-3-yl)-5-propan-2-ylindazole (PubChem CID 164739214) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-5-propan-2-ylindazole.

Molecular Properties

Compound Name1-(azetidin-3-yl)-5-propan-2-ylindazole
PubChem CID164739214
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(azetidin-3-yl)-5-propan-2-ylindazole
SMILESCC(C)c1ccc2c(cnn2C2CNC2)c1
InChIInChI=1S/C13H17N3/c1-9(2)10-3-4-13-11(5-10)6-15-16(13)12-7-14-8-12/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyBYTMWKGVQKLYSV-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-2-methyl-6-propan-2-ylbenzimidazole
CID 134492323
1-[3-(6-propan-2-ylindazol-1-yl)azetidin-1-yl]ethanone
CID 153308049
1-(oxan-3-yl)-6-propan-2-ylindazole
CID 153308080
1-(5-methylpiperidin-3-yl)indazole
CID 115375140
1-(azetidin-3-yl)-5-propan-2-ylpyrazole
CID 84764985
1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride
CID 126485700
1-[(3R)-pyrrolidin-3-yl]indazole
CID 94401525
2-piperidin-4-yl-1,5-di(propan-2-yl)benzimidazole
CID 82334138
N-tert-butyl-1-(1-propan-2-ylpiperidin-4-yl)indazol-5-amine
CID 155363516
1-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylindazole
CID 177179269
ethane;1-[(6-methyl-3-pyridinyl)methyl]-5-propan-2-ylindazole
CID 177179500
1-(1-ethylindazol-5-yl)-N-methylethanamine
CID 84721771

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-5-propan-2-ylindazole?
The IUPAC name of 1-(azetidin-3-yl)-5-propan-2-ylindazole (CID 164739214) is 1-(azetidin-3-yl)-5-propan-2-ylindazole.
What is the SMILES notation for 1-(azetidin-3-yl)-5-propan-2-ylindazole?
The canonical SMILES for 1-(azetidin-3-yl)-5-propan-2-ylindazole is CC(C)c1ccc2c(cnn2C2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-5-propan-2-ylindazole?
The InChIKey is BYTMWKGVQKLYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)10-3-4-13-11(5-10)6-15-16(13)12-7-14-8-12/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-5-propan-2-ylindazole?
1-(azetidin-3-yl)-5-propan-2-ylindazole has a molecular weight of 215.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-5-propan-2-ylindazole is sourced from PubChem (CID 164739214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).