methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate

C13H12BrN5O2 — CID 122603929

IUPACmethyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2cc(Br)cc3c(N)n[nH]c23)cn1
InChIInChI=1S/C13H12BrN5O2/c1-21-11(20)6-19-5-7(4-16-19)9-2-8(14)3-10-12(9)17-18-13(10)15/h2-5H,6H2,1H3,(H3,15,17,18)
InChIKeyADHSKUZFTZHLQT-UHFFFAOYSA-N
MW350.18 g/mol
LogP1.94
Rot. Bonds3

About methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate

methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate (PubChem CID 122603929) has the molecular formula C13H12BrN5O2 and a molecular weight of 350.18 g/mol. Its IUPAC name is methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate
PubChem CID122603929
Molecular FormulaC13H12BrN5O2
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC Namemethyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(-c2cc(Br)cc3c(N)n[nH]c23)cn1
InChIInChI=1S/C13H12BrN5O2/c1-21-11(20)6-19-5-7(4-16-19)9-2-8(14)3-10-12(9)17-18-13(10)15/h2-5H,6H2,1H3,(H3,15,17,18)
InChIKeyADHSKUZFTZHLQT-UHFFFAOYSA-N
XLogP1.94
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate (CID 122603929) is methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate is COC(=O)Cn1cc(-c2cc(Br)cc3c(N)n[nH]c23)cn1.
What is the InChIKey of methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate?
The InChIKey is ADHSKUZFTZHLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O2/c1-21-11(20)6-19-5-7(4-16-19)9-2-8(14)3-10-12(9)17-18-13(10)15/h2-5H,6H2,1H3,(H3,15,17,18).
What are the key properties of methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate?
methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate has a molecular weight of 350.18 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-amino-5-bromo-1H-indazol-7-yl)pyrazol-1-yl]acetate is sourced from PubChem (CID 122603929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).