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

C11H14N2O — CID 3028895

IUPAC1-butyl-2H-indazol-3-one
SMILESCCCCn1[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)12-13/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKeyBXHOZCPNWNNOLA-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.13
Rot. Bonds3

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

1-butyl-2H-indazol-3-one (PubChem CID 3028895) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-butyl-2H-indazol-3-one.

Molecular Properties

Compound Name1-butyl-2H-indazol-3-one
PubChem CID3028895
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-butyl-2H-indazol-3-one
SMILESCCCCn1[nH]c(=O)c2ccccc21
InChIInChI=1S/C11H14N2O/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)12-13/h4-7H,2-3,8H2,1H3,(H,12,14)
InChIKeyBXHOZCPNWNNOLA-UHFFFAOYSA-N
XLogP2.13
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.13
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
(2-Aminophenyl)(pyrrolidin-1-yl)methanone
CID 713136
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-(Methylamino)benzamide
CID 101222
6-fluoro-1H-indazol-3-ol
CID 24728218
2-Piperidinobenzamide
CID 335067
(2-Aminophenyl)(indolin-1-yl)methanone
CID 577461
2-butyl-1,2-dihydro-3H-indazol-3-one
CID 163570

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-indazol-3-one?
The IUPAC name of 1-butyl-2H-indazol-3-one (CID 3028895) is 1-butyl-2H-indazol-3-one.
What is the SMILES notation for 1-butyl-2H-indazol-3-one?
The canonical SMILES for 1-butyl-2H-indazol-3-one is CCCCn1[nH]c(=O)c2ccccc21.
What is the InChIKey of 1-butyl-2H-indazol-3-one?
The InChIKey is BXHOZCPNWNNOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)12-13/h4-7H,2-3,8H2,1H3,(H,12,14).
What are the key properties of 1-butyl-2H-indazol-3-one?
1-butyl-2H-indazol-3-one has a molecular weight of 190.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-indazol-3-one is sourced from PubChem (CID 3028895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).