5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine

C13H13BrN4 — CID 115109196

IUPAC5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine
SMILESCc1c(-c2[nH]ncc2N)c2c(Br)cccc2n1C
InChIInChI=1S/C13H13BrN4/c1-7-11(13-9(15)6-16-17-13)12-8(14)4-3-5-10(12)18(7)2/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRKYRLQRNULEABW-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.22
Rot. Bonds1

About 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine

5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine (PubChem CID 115109196) has the molecular formula C13H13BrN4 and a molecular weight of 305.18 g/mol. Its IUPAC name is 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine
PubChem CID115109196
Molecular FormulaC13H13BrN4
Molecular Weight305.18 g/mol
Exact Mass304.03
IUPAC Name5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine
SMILESCc1c(-c2[nH]ncc2N)c2c(Br)cccc2n1C
InChIInChI=1S/C13H13BrN4/c1-7-11(13-9(15)6-16-17-13)12-8(14)4-3-5-10(12)18(7)2/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyRKYRLQRNULEABW-UHFFFAOYSA-N
XLogP3.22
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269
2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
CID 137016984
5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731
5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82299165
4-(1,3-dimethylindazol-4-yl)-1H-pyrazol-5-amine
CID 117327028
5-(4-bromo-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
CID 115109736
3-bromo-4-fluoro-1,2-dimethylindole
CID 84703117
4-bromo-1,3-dimethyl-2-phenylindole
CID 68814415
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
1-(4-bromo-1H-pyrazol-5-yl)indole
CID 18401365

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine (CID 115109196) is 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine is Cc1c(-c2[nH]ncc2N)c2c(Br)cccc2n1C.
What is the InChIKey of 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine?
The InChIKey is RKYRLQRNULEABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4/c1-7-11(13-9(15)6-16-17-13)12-8(14)4-3-5-10(12)18(7)2/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine?
5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine has a molecular weight of 305.18 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 115109196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).