2-(4,7-dimethyl-1H-indazol-5-yl)acetate

C11H11N2O2- — CID 18447142

IUPAC2-(4,7-dimethyl-1H-indazol-5-yl)acetate
SMILESCc1c(CC(=O)[O-])cc(C)c2[nH]ncc12
InChIInChI=1S/C11H12N2O2/c1-6-3-8(4-10(14)15)7(2)9-5-12-13-11(6)9/h3,5H,4H2,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyVQMXAUNROFEMKS-UHFFFAOYSA-M
MW203.22 g/mol
LogP0.47
Rot. Bonds2

About 2-(4,7-dimethyl-1H-indazol-5-yl)acetate

2-(4,7-dimethyl-1H-indazol-5-yl)acetate (PubChem CID 18447142) has the molecular formula C11H11N2O2- and a molecular weight of 203.22 g/mol. Its IUPAC name is 2-(4,7-dimethyl-1H-indazol-5-yl)acetate.

Molecular Properties

Compound Name2-(4,7-dimethyl-1H-indazol-5-yl)acetate
PubChem CID18447142
Molecular FormulaC11H11N2O2-
Molecular Weight203.22 g/mol
Exact Mass203.08
IUPAC Name2-(4,7-dimethyl-1H-indazol-5-yl)acetate
SMILESCc1c(CC(=O)[O-])cc(C)c2[nH]ncc12
InChIInChI=1S/C11H12N2O2/c1-6-3-8(4-10(14)15)7(2)9-5-12-13-11(6)9/h3,5H,4H2,1-2H3,(H,12,13)(H,14,15)/p-1
InChIKeyVQMXAUNROFEMKS-UHFFFAOYSA-M
XLogP0.47
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1H-indazol-5-yl)acetate
CID 18447211
4-bromo-5,7-dimethyl-1H-indazole
CID 70630386
5-bromo-4-chloro-7-methyl-1H-indazole
CID 146307871
5-bromo-4-methoxy-7-methyl-1H-indazole
CID 167501479
(2S)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid
CID 155388857
ethyl 4-methoxy-5-methyl-1H-indazole-7-carboxylate
CID 170744696
3-(7-methyl-1H-indazol-6-yl)propanoic acid
CID 175141780
(4-methyl-1H-indazol-5-yl)methanol
CID 170907385
(5-methyl-1H-indazol-7-yl)methanol
CID 76846426
4,6-dibromo-7-methyl-1H-indazole
CID 164895348
N,4-dimethyl-1H-indazole-7-carboxamide
CID 167502004
4-(2-hydroxypropyl)-5-methyl-1H-pyridazin-6-one
CID 169128874

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-1H-indazol-5-yl)acetate?
The IUPAC name of 2-(4,7-dimethyl-1H-indazol-5-yl)acetate (CID 18447142) is 2-(4,7-dimethyl-1H-indazol-5-yl)acetate.
What is the SMILES notation for 2-(4,7-dimethyl-1H-indazol-5-yl)acetate?
The canonical SMILES for 2-(4,7-dimethyl-1H-indazol-5-yl)acetate is Cc1c(CC(=O)[O-])cc(C)c2[nH]ncc12.
What is the InChIKey of 2-(4,7-dimethyl-1H-indazol-5-yl)acetate?
The InChIKey is VQMXAUNROFEMKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O2/c1-6-3-8(4-10(14)15)7(2)9-5-12-13-11(6)9/h3,5H,4H2,1-2H3,(H,12,13)(H,14,15)/p-1.
What are the key properties of 2-(4,7-dimethyl-1H-indazol-5-yl)acetate?
2-(4,7-dimethyl-1H-indazol-5-yl)acetate has a molecular weight of 203.22 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-1H-indazol-5-yl)acetate is sourced from PubChem (CID 18447142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).