methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate

C18H19N3O2 — CID 174578985

IUPACmethyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate
SMILESCOC(=O)Cc1cccc2cn(-c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C18H19N3O2/c1-20(2)15-7-9-16(10-8-15)21-12-14-6-4-5-13(18(14)19-21)11-17(22)23-3/h4-10,12H,11H2,1-3H3
InChIKeyUGRWQONUOVWWKK-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.81
Rot. Bonds4

About methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate

methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate (PubChem CID 174578985) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate
PubChem CID174578985
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate
SMILESCOC(=O)Cc1cccc2cn(-c3ccc(N(C)C)cc3)nc12
InChIInChI=1S/C18H19N3O2/c1-20(2)15-7-9-16(10-8-15)21-12-14-6-4-5-13(18(14)19-21)11-17(22)23-3/h4-10,12H,11H2,1-3H3
InChIKeyUGRWQONUOVWWKK-UHFFFAOYSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate?
The IUPAC name of methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate (CID 174578985) is methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate.
What is the SMILES notation for methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate?
The canonical SMILES for methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate is COC(=O)Cc1cccc2cn(-c3ccc(N(C)C)cc3)nc12.
What is the InChIKey of methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate?
The InChIKey is UGRWQONUOVWWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20(2)15-7-9-16(10-8-15)21-12-14-6-4-5-13(18(14)19-21)11-17(22)23-3/h4-10,12H,11H2,1-3H3.
What are the key properties of methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate?
methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate has a molecular weight of 309.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-(dimethylamino)phenyl]indazol-7-yl]acetate is sourced from PubChem (CID 174578985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).