1-(4-tert-butylbenzoyl)indazole-3-carboxamide

C19H19N3O2 — CID 68638733

IUPAC1-(4-tert-butylbenzoyl)indazole-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)n2nc(C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)13-10-8-12(9-11-13)18(24)22-15-7-5-4-6-14(15)16(21-22)17(20)23/h4-11H,1-3H3,(H2,20,23)
InChIKeyTUZJCVOXCDCZQJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds2

About 1-(4-tert-butylbenzoyl)indazole-3-carboxamide

1-(4-tert-butylbenzoyl)indazole-3-carboxamide (PubChem CID 68638733) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)indazole-3-carboxamide
PubChem CID68638733
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(4-tert-butylbenzoyl)indazole-3-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)n2nc(C(N)=O)c3ccccc32)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)13-10-8-12(9-11-13)18(24)22-15-7-5-4-6-14(15)16(21-22)17(20)23/h4-11H,1-3H3,(H2,20,23)
InChIKeyTUZJCVOXCDCZQJ-UHFFFAOYSA-N
XLogP3.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)indazole-3-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)indazole-3-carboxamide (CID 68638733) is 1-(4-tert-butylbenzoyl)indazole-3-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)indazole-3-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)indazole-3-carboxamide is CC(C)(C)c1ccc(C(=O)n2nc(C(N)=O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)indazole-3-carboxamide?
The InChIKey is TUZJCVOXCDCZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)13-10-8-12(9-11-13)18(24)22-15-7-5-4-6-14(15)16(21-22)17(20)23/h4-11H,1-3H3,(H2,20,23).
What are the key properties of 1-(4-tert-butylbenzoyl)indazole-3-carboxamide?
1-(4-tert-butylbenzoyl)indazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)indazole-3-carboxamide is sourced from PubChem (CID 68638733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).