3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole

C15H16N4O — CID 135064286

IUPAC3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole
SMILESc1ccc2c(-c3ccnn3C3CCCCO3)n[nH]c2c1
InChIInChI=1S/C15H16N4O/c1-2-6-12-11(5-1)15(18-17-12)13-8-9-16-19(13)14-7-3-4-10-20-14/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,17,18)
InChIKeyILOKSNUZWYGWLB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds2

About 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole

3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole (PubChem CID 135064286) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole
PubChem CID135064286
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole
SMILESc1ccc2c(-c3ccnn3C3CCCCO3)n[nH]c2c1
InChIInChI=1S/C15H16N4O/c1-2-6-12-11(5-1)15(18-17-12)13-8-9-16-19(13)14-7-3-4-10-20-14/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,17,18)
InChIKeyILOKSNUZWYGWLB-UHFFFAOYSA-N
XLogP3.13
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
CID 49798266
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
3-(1-(1H-indazol-5-yl)-1H-1,2,3-triazol-4-yl)propan-1-ol
CID 44186880
5-[2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole
CID 49798243
(S)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
CID 49798244
5-[1-(oxan-4-ylmethyl)triazol-4-yl]-1H-indazole
CID 25164884
5-(1-benzyl-5-phenyltriazol-4-yl)-1H-indazole
CID 25165084
1-(Oxan-2-yl)-1H-indazol-5-amine
CID 22933927
1-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-6-amine
CID 44118233
3-(1-phenylpyrazol-4-yl)-1H-indazole
CID 70683531
US11247989, Example 140
CID 132186599
1-(Oxan-2-yl)-1H-indazol-4-amine
CID 44118232

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole?
The IUPAC name of 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole (CID 135064286) is 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole.
What is the SMILES notation for 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole?
The canonical SMILES for 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole is c1ccc2c(-c3ccnn3C3CCCCO3)n[nH]c2c1.
What is the InChIKey of 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole?
The InChIKey is ILOKSNUZWYGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-6-12-11(5-1)15(18-17-12)13-8-9-16-19(13)14-7-3-4-10-20-14/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,17,18).
What are the key properties of 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole?
3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole has a molecular weight of 268.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-2-yl)pyrazol-3-yl]-1H-indazole is sourced from PubChem (CID 135064286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).