1-tert-butyl-2H-indazol-3-one

C11H14N2O — CID 25053379

IUPAC1-tert-butyl-2H-indazol-3-one
SMILESCC(C)(C)n1[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-11(2,3)13-9-7-5-4-6-8(9)10(14)12-13/h4-7H,1-3H3,(H,12,14)
InChIKeyNKFKRFNLZCQINV-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.08
Rot. Bonds

About 1-tert-butyl-2H-indazol-3-one

1-tert-butyl-2H-indazol-3-one (PubChem CID 25053379) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-tert-butyl-2H-indazol-3-one.

Molecular Properties

Compound Name1-tert-butyl-2H-indazol-3-one
PubChem CID25053379
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-tert-butyl-2H-indazol-3-one
SMILESCC(C)(C)n1[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-11(2,3)13-9-7-5-4-6-8(9)10(14)12-13/h4-7H,1-3H3,(H,12,14)
InChIKeyNKFKRFNLZCQINV-UHFFFAOYSA-N
XLogP2.08
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Indazolinone
CID 81829
1-benzyl-1H-indazol-3-ol
CID 75181
1-methyl-2,3-dihydro-1H-indazol-3-one
CID 350589
3-Indazolinone, 2-phenyl-
CID 411519
2-Benzyl-1,2-dihydro-indazol-3-one
CID 411523
2-methyl-1H-indazol-3(2H)-one
CID 590513
2-(Acetylamino)benzamide
CID 118553
6-fluoro-1H-indazol-3-ol
CID 24728218
2-butyl-1,2-dihydro-3H-indazol-3-one
CID 163570
Benzoic acid, 2-(methylamino)-, hydrazide
CID 98337
1H-Indazol-3-ol, 1-(o-chlorobenzyl)-
CID 120949
N-Acetylanthranilic acid hydrazide
CID 242951

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-indazol-3-one?
The IUPAC name of 1-tert-butyl-2H-indazol-3-one (CID 25053379) is 1-tert-butyl-2H-indazol-3-one.
What is the SMILES notation for 1-tert-butyl-2H-indazol-3-one?
The canonical SMILES for 1-tert-butyl-2H-indazol-3-one is CC(C)(C)n1[nH]c(=O)c2ccccc21.
What is the InChIKey of 1-tert-butyl-2H-indazol-3-one?
The InChIKey is NKFKRFNLZCQINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)13-9-7-5-4-6-8(9)10(14)12-13/h4-7H,1-3H3,(H,12,14).
What are the key properties of 1-tert-butyl-2H-indazol-3-one?
1-tert-butyl-2H-indazol-3-one has a molecular weight of 190.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-indazol-3-one is sourced from PubChem (CID 25053379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).