6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine

C15H14BrN3 — CID 134155399

IUPAC6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine
SMILESCc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H14BrN3/c1-10-2-4-11(5-3-10)8-17-14-6-12(16)7-15-13(14)9-18-19-15/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyPDGJARDBXZPAJW-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.25
Rot. Bonds3

About 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine

6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine (PubChem CID 134155399) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine
PubChem CID134155399
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine
SMILESCc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H14BrN3/c1-10-2-4-11(5-3-10)8-17-14-6-12(16)7-15-13(14)9-18-19-15/h2-7,9,17H,8H2,1H3,(H,18,19)
InChIKeyPDGJARDBXZPAJW-UHFFFAOYSA-N
XLogP4.25
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Bromo-1H-indazol-4-amine
CID 24728063
6-Bromo-1H-indazole
CID 17842471
(1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 156009086
6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine
CID 156009089
cis-(1R,2S)-2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 156022739
1-[(4-bromophenyl)methyl]-3-1H-indazol-4-ylurea
CID 22032601
6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 121326125
N-(2,1,3-benzoxadiazol-4-ylmethyl)-6-bromo-1H-indazol-4-amine
CID 146669430
1-[(4-bromophenyl)methyl]-3-1H-indazol-5-ylurea
CID 24768216
6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164629071
6-bromo-N-(cyclohexylmethyl)-1H-indazol-4-amine
CID 168298182
2-[[(6-bromo-1H-indazol-4-yl)amino]methyl]cyclohexan-1-ol
CID 168298526

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine (CID 134155399) is 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine is Cc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1.
What is the InChIKey of 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine?
The InChIKey is PDGJARDBXZPAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10-2-4-11(5-3-10)8-17-14-6-12(16)7-15-13(14)9-18-19-15/h2-7,9,17H,8H2,1H3,(H,18,19).
What are the key properties of 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine?
6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine has a molecular weight of 316.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine is sourced from PubChem (CID 134155399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).