N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

C16H17N3O2 — CID 5329632

IUPACN-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1C(C)(C)C
InChIInChI=1S/C16H17N3O2/c1-8(20)17-10-7-5-6-9-11(10)14(21)12-13(9)18-19-15(12)16(2,3)4/h5-7H,1-4H3,(H,17,20)(H,18,19)
InChIKeyPHQLKOYBUNZTTA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds1

About N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide

N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (PubChem CID 5329632) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
PubChem CID5329632
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1C(C)(C)C
InChIInChI=1S/C16H17N3O2/c1-8(20)17-10-7-5-6-9-11(10)14(21)12-13(9)18-19-15(12)16(2,3)4/h5-7H,1-4H3,(H,17,20)(H,18,19)
InChIKeyPHQLKOYBUNZTTA-UHFFFAOYSA-N
XLogP2.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide (CID 5329632) is N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is CC(=O)Nc1cccc2c1C(=O)c1c-2n[nH]c1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
The InChIKey is PHQLKOYBUNZTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-8(20)17-10-7-5-6-9-11(10)14(21)12-13(9)18-19-15(12)16(2,3)4/h5-7H,1-4H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide?
N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)acetamide is sourced from PubChem (CID 5329632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).