2H-indazol-3-ylmethyl acetate

C10H10N2O2 — CID 142092593

IUPAC2H-indazol-3-ylmethyl acetate
SMILESCC(=O)OCc1[nH]nc2ccccc12
InChIInChI=1S/C10H10N2O2/c1-7(13)14-6-10-8-4-2-3-5-9(8)11-12-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyQSXNZLSBPQLIBC-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.63
Rot. Bonds2

About 2H-indazol-3-ylmethyl acetate

2H-indazol-3-ylmethyl acetate (PubChem CID 142092593) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2H-indazol-3-ylmethyl acetate.

Molecular Properties

Compound Name2H-indazol-3-ylmethyl acetate
PubChem CID142092593
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2H-indazol-3-ylmethyl acetate
SMILESCC(=O)OCc1[nH]nc2ccccc12
InChIInChI=1S/C10H10N2O2/c1-7(13)14-6-10-8-4-2-3-5-9(8)11-12-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyQSXNZLSBPQLIBC-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
ethyl 4-(2H-indazol-3-yl)-3-oxobutanoate
CID 147446393
(2R)-2-amino-3-(2H-indazol-3-yl)propanoic acid
CID 90478787
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
[2H-indazol-3-ylmethyl(dimethyl)silyl]methanamine
CID 22399684
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200733
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166259361
[2-[2-(2H-indazol-3-yl)ethyl]phenyl]methanol
CID 139204166
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 119369285
3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
CID 69335263

Frequently Asked Questions

What is the IUPAC name of 2H-indazol-3-ylmethyl acetate?
The IUPAC name of 2H-indazol-3-ylmethyl acetate (CID 142092593) is 2H-indazol-3-ylmethyl acetate.
What is the SMILES notation for 2H-indazol-3-ylmethyl acetate?
The canonical SMILES for 2H-indazol-3-ylmethyl acetate is CC(=O)OCc1[nH]nc2ccccc12.
What is the InChIKey of 2H-indazol-3-ylmethyl acetate?
The InChIKey is QSXNZLSBPQLIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7(13)14-6-10-8-4-2-3-5-9(8)11-12-10/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2H-indazol-3-ylmethyl acetate?
2H-indazol-3-ylmethyl acetate has a molecular weight of 190.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indazol-3-ylmethyl acetate is sourced from PubChem (CID 142092593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).