5-chloro-1-ethyl-2H-indazol-3-one

C9H9ClN2O — CID 23063926

IUPAC5-chloro-1-ethyl-2H-indazol-3-one
SMILESCCn1[nH]c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O/c1-2-12-8-4-3-6(10)5-7(8)9(13)11-12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyCCBBPBNOIBEVNI-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.00
Rot. Bonds1

About 5-chloro-1-ethyl-2H-indazol-3-one

5-chloro-1-ethyl-2H-indazol-3-one (PubChem CID 23063926) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2H-indazol-3-one.

Molecular Properties

Compound Name5-chloro-1-ethyl-2H-indazol-3-one
PubChem CID23063926
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name5-chloro-1-ethyl-2H-indazol-3-one
SMILESCCn1[nH]c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C9H9ClN2O/c1-2-12-8-4-3-6(10)5-7(8)9(13)11-12/h3-5H,2H2,1H3,(H,11,13)
InChIKeyCCBBPBNOIBEVNI-UHFFFAOYSA-N
XLogP2.00
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-methyl-2H-indazol-3-one
CID 105436519
1-[(2,4-dichlorophenyl)methyl]-5-nitro-2H-indazol-3-one
CID 10854473
2,4-dichloro-N-[1-(2-methylpropyl)-3-oxo-2H-indazol-5-yl]benzenesulfonamide
CID 11517216
5-bromo-1-(4-chlorophenyl)-2H-indazol-3-one
CID 45480045
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
5-chloro-1-ethyl-3-methylindole
CID 23383492
6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione
CID 22347996
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
5-chloro-1-[2-oxo-2-(6-pyridin-3-yloxy-1H-indol-3-yl)ethyl]-2H-indazol-3-one
CID 118950956
3-[(2-amino-5-chlorophenyl)methyl]-2H-phthalazine-1,4-dione
CID 79556144
3-chloro-4-[1-[(3,4-difluorophenyl)methyl]-3-oxo-2H-indazol-5-yl]-2-methylbenzenesulfonamide
CID 68833178
6-chloro-1-phenyl-2H-indazol-3-one
CID 16638458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2H-indazol-3-one?
The IUPAC name of 5-chloro-1-ethyl-2H-indazol-3-one (CID 23063926) is 5-chloro-1-ethyl-2H-indazol-3-one.
What is the SMILES notation for 5-chloro-1-ethyl-2H-indazol-3-one?
The canonical SMILES for 5-chloro-1-ethyl-2H-indazol-3-one is CCn1[nH]c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-2H-indazol-3-one?
The InChIKey is CCBBPBNOIBEVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-2-12-8-4-3-6(10)5-7(8)9(13)11-12/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of 5-chloro-1-ethyl-2H-indazol-3-one?
5-chloro-1-ethyl-2H-indazol-3-one has a molecular weight of 196.64 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2H-indazol-3-one is sourced from PubChem (CID 23063926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).