1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole

C15H21N3 — CID 79451240

IUPAC1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole
SMILESCC(C)C1(Cc2nn(C)c3ccccc23)CNC1
InChIInChI=1S/C15H21N3/c1-11(2)15(9-16-10-15)8-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyZIQOWOAPPZKHPM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.36
Rot. Bonds3

About 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole

1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole (PubChem CID 79451240) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole.

Molecular Properties

Compound Name1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole
PubChem CID79451240
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole
SMILESCC(C)C1(Cc2nn(C)c3ccccc23)CNC1
InChIInChI=1S/C15H21N3/c1-11(2)15(9-16-10-15)8-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,11,16H,8-10H2,1-3H3
InChIKeyZIQOWOAPPZKHPM-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(1-methylindazol-3-yl)methyl]piperidin-3-yl]methanol
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1-methyl-3-(piperidin-4-ylmethyl)indazole
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3-[(1-methylindazol-3-yl)methyl]thiolan-3-ol
CID 79949803
1-[(1-methylindazol-3-yl)methyl]cyclooctane-1-carbonitrile
CID 80610067
methoxymethane;(1-methylindazol-3-yl)methanol
CID 91551429
3-(cyclopropylmethyl)-1-methylindazole
CID 142276732
1-[1-hydroxy-2-(1-methylindazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452206
2-fluoro-3-methyl-2-[(1-methylindazol-3-yl)methyl]butan-1-amine
CID 112566831
3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
CID 80562974
N-methyl-N-[(1-methylindazol-3-yl)methyl]hydroxylamine
CID 82604100
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole?
The IUPAC name of 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole (CID 79451240) is 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole.
What is the SMILES notation for 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole?
The canonical SMILES for 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole is CC(C)C1(Cc2nn(C)c3ccccc23)CNC1.
What is the InChIKey of 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole?
The InChIKey is ZIQOWOAPPZKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)15(9-16-10-15)8-13-12-6-4-5-7-14(12)18(3)17-13/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole?
1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole has a molecular weight of 243.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-propan-2-ylazetidin-3-yl)methyl]indazole is sourced from PubChem (CID 79451240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).