N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine

C15H14BrN3 — CID 177034353

IUPACN-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine
SMILESCc1cc(Nc2n[nH]c3ccccc23)c(C)cc1Br
InChIInChI=1S/C15H14BrN3/c1-9-8-14(10(2)7-12(9)16)17-15-11-5-3-4-6-13(11)18-19-15/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyKTKVHHSRTRONEV-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.69
Rot. Bonds2

About N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine

N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine (PubChem CID 177034353) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine
PubChem CID177034353
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC NameN-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine
SMILESCc1cc(Nc2n[nH]c3ccccc23)c(C)cc1Br
InChIInChI=1S/C15H14BrN3/c1-9-8-14(10(2)7-12(9)16)17-15-11-5-3-4-6-13(11)18-19-15/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyKTKVHHSRTRONEV-UHFFFAOYSA-N
XLogP4.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
N-(2-methoxy-5-methylphenyl)-1H-indazol-3-amine
CID 166128556
4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
CID 61068511
4-N-(1H-indazol-3-yl)benzene-1,4-diamine
CID 142650231
N-(1H-indazol-3-yl)-1,3-dimethylpyrrolo[2,3-b]pyridin-5-amine
CID 134192218
N-(1-benzofuran-7-yl)-1H-indazol-3-amine
CID 166128468
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
N-(1H-indazol-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3068044
1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
CID 62686211
N-(1H-indazol-3-yl)-2,5-dimethylbenzenesulfonamide
CID 62686396
3-bromo-4-chloro-N-(1H-indazol-3-yl)benzenesulfonamide
CID 106606417

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine?
The IUPAC name of N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine (CID 177034353) is N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine?
The canonical SMILES for N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine is Cc1cc(Nc2n[nH]c3ccccc23)c(C)cc1Br.
What is the InChIKey of N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine?
The InChIKey is KTKVHHSRTRONEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-9-8-14(10(2)7-12(9)16)17-15-11-5-3-4-6-13(11)18-19-15/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine?
N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine has a molecular weight of 316.20 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-dimethylphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 177034353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).