N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine

C15H12BrN3O2 — CID 60932500

IUPACN-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine
SMILESBrc1cc(CNc2cccc3[nH]ncc23)cc2c1OCO2
InChIInChI=1S/C15H12BrN3O2/c16-11-4-9(5-14-15(11)21-8-20-14)6-17-12-2-1-3-13-10(12)7-18-19-13/h1-5,7,17H,6,8H2,(H,18,19)
InChIKeySDKCZCKRKJFVEC-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.67
Rot. Bonds3

About N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine

N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine (PubChem CID 60932500) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound NameN-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine
PubChem CID60932500
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC NameN-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine
SMILESBrc1cc(CNc2cccc3[nH]ncc23)cc2c1OCO2
InChIInChI=1S/C15H12BrN3O2/c16-11-4-9(5-14-15(11)21-8-20-14)6-17-12-2-1-3-13-10(12)7-18-19-13/h1-5,7,17H,6,8H2,(H,18,19)
InChIKeySDKCZCKRKJFVEC-UHFFFAOYSA-N
XLogP3.67
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-7-amine
CID 43730935
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2,3-dichloroaniline
CID 43326664
N-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669427
N-[(4,5-dibromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 62084497
2-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]-6-fluorobenzonitrile
CID 43580238
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-ethoxyaniline
CID 43143807
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-methylaniline
CID 43326606
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-chloro-5-fluoroaniline
CID 107527697
N-[(3-chlorophenyl)methyl]-1H-indazol-4-amine
CID 54865712
4-bromo-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-chloroaniline
CID 43347172
5-bromo-N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-2-fluoroaniline
CID 43555204
N-[(5-bromofuran-2-yl)methyl]-1H-indazol-4-amine
CID 54865678

Frequently Asked Questions

What is the IUPAC name of N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine?
The IUPAC name of N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine (CID 60932500) is N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine?
The canonical SMILES for N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine is Brc1cc(CNc2cccc3[nH]ncc23)cc2c1OCO2.
What is the InChIKey of N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine?
The InChIKey is SDKCZCKRKJFVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-11-4-9(5-14-15(11)21-8-20-14)6-17-12-2-1-3-13-10(12)7-18-19-13/h1-5,7,17H,6,8H2,(H,18,19).
What are the key properties of N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine?
N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine has a molecular weight of 346.18 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 60932500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).