methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate

C19H20N2O2 — CID 59702280

IUPACmethyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate
SMILESCOC(=O)c1c2cccc(-c3ccc(C(C)C)cc3)c2nn1C
InChIInChI=1S/C19H20N2O2/c1-12(2)13-8-10-14(11-9-13)15-6-5-7-16-17(15)20-21(3)18(16)19(22)23-4/h5-12H,1-4H3
InChIKeyZHNJFBRNLYYTLB-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.15
Rot. Bonds3

About methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate

methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate (PubChem CID 59702280) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate
PubChem CID59702280
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Namemethyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate
SMILESCOC(=O)c1c2cccc(-c3ccc(C(C)C)cc3)c2nn1C
InChIInChI=1S/C19H20N2O2/c1-12(2)13-8-10-14(11-9-13)15-6-5-7-16-17(15)20-21(3)18(16)19(22)23-4/h5-12H,1-4H3
InChIKeyZHNJFBRNLYYTLB-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate?
The IUPAC name of methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate (CID 59702280) is methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate?
The canonical SMILES for methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate is COC(=O)c1c2cccc(-c3ccc(C(C)C)cc3)c2nn1C.
What is the InChIKey of methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate?
The InChIKey is ZHNJFBRNLYYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12(2)13-8-10-14(11-9-13)15-6-5-7-16-17(15)20-21(3)18(16)19(22)23-4/h5-12H,1-4H3.
What are the key properties of methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate?
methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-7-(4-propan-2-ylphenyl)indazole-3-carboxylate is sourced from PubChem (CID 59702280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).