4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide

C19H21N3O2 — CID 176659651

IUPAC4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide
SMILESCC(C)(O)CCn1cc2ccc(-c3ccc(C(N)=O)cc3)cc2n1
InChIInChI=1S/C19H21N3O2/c1-19(2,24)9-10-22-12-16-8-7-15(11-17(16)21-22)13-3-5-14(6-4-13)18(20)23/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,23)
InChIKeyXYIVRTFXUJYDNE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.96
Rot. Bonds5

About 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide

4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide (PubChem CID 176659651) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide.

Molecular Properties

Compound Name4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide
PubChem CID176659651
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide
SMILESCC(C)(O)CCn1cc2ccc(-c3ccc(C(N)=O)cc3)cc2n1
InChIInChI=1S/C19H21N3O2/c1-19(2,24)9-10-22-12-16-8-7-15(11-17(16)21-22)13-3-5-14(6-4-13)18(20)23/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,23)
InChIKeyXYIVRTFXUJYDNE-UHFFFAOYSA-N
XLogP2.96
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 150709122
5-amino-2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 151930847
2-ethylindazole-5-carboxamide
CID 142796121
2-(2-phenylethyl)indazole-6-carboxylic acid
CID 176884936
4-(6-methoxy-5-nitroindazol-2-yl)-2-methylbutan-2-ol
CID 165162318
4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]ethyl]benzamide
CID 175244935
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
CID 129283899
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide
CID 118382629
1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide?
The IUPAC name of 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide (CID 176659651) is 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide.
What is the SMILES notation for 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide?
The canonical SMILES for 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide is CC(C)(O)CCn1cc2ccc(-c3ccc(C(N)=O)cc3)cc2n1.
What is the InChIKey of 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide?
The InChIKey is XYIVRTFXUJYDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,24)9-10-22-12-16-8-7-15(11-17(16)21-22)13-3-5-14(6-4-13)18(20)23/h3-8,11-12,24H,9-10H2,1-2H3,(H2,20,23).
What are the key properties of 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide?
4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxy-3-methylbutyl)indazol-6-yl]benzamide is sourced from PubChem (CID 176659651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).