4-chloro-1-propan-2-yl-2H-indazol-3-one

C10H11ClN2O — CID 105464602

IUPAC4-chloro-1-propan-2-yl-2H-indazol-3-one
SMILESCC(C)n1[nH]c(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O/c1-6(2)13-8-5-3-4-7(11)9(8)10(14)12-13/h3-6H,1-2H3,(H,12,14)
InChIKeyLQSFNDFPIFDHET-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.56
Rot. Bonds1

About 4-chloro-1-propan-2-yl-2H-indazol-3-one

4-chloro-1-propan-2-yl-2H-indazol-3-one (PubChem CID 105464602) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 4-chloro-1-propan-2-yl-2H-indazol-3-one.

Molecular Properties

Compound Name4-chloro-1-propan-2-yl-2H-indazol-3-one
PubChem CID105464602
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name4-chloro-1-propan-2-yl-2H-indazol-3-one
SMILESCC(C)n1[nH]c(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H11ClN2O/c1-6(2)13-8-5-3-4-7(11)9(8)10(14)12-13/h3-6H,1-2H3,(H,12,14)
InChIKeyLQSFNDFPIFDHET-UHFFFAOYSA-N
XLogP2.56
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-chloro-1-propan-2-ylindol-3-yl)ethanone
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5-chloro-4-methyl-2-propan-2-ylisoquinolin-1-one
CID 115041211
8-chloro-3-methyl-2H-isoquinolin-1-one
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2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
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2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propan-2-yl-2H-indazol-3-one?
The IUPAC name of 4-chloro-1-propan-2-yl-2H-indazol-3-one (CID 105464602) is 4-chloro-1-propan-2-yl-2H-indazol-3-one.
What is the SMILES notation for 4-chloro-1-propan-2-yl-2H-indazol-3-one?
The canonical SMILES for 4-chloro-1-propan-2-yl-2H-indazol-3-one is CC(C)n1[nH]c(=O)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-propan-2-yl-2H-indazol-3-one?
The InChIKey is LQSFNDFPIFDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6(2)13-8-5-3-4-7(11)9(8)10(14)12-13/h3-6H,1-2H3,(H,12,14).
What are the key properties of 4-chloro-1-propan-2-yl-2H-indazol-3-one?
4-chloro-1-propan-2-yl-2H-indazol-3-one has a molecular weight of 210.66 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propan-2-yl-2H-indazol-3-one is sourced from PubChem (CID 105464602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).