2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol

C12H12N4O — CID 136985621

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
SMILESCn1nc(-c2cc3ccc(O)cc3[nH]2)cc1N
InChIInChI=1S/C12H12N4O/c1-16-12(13)6-11(15-16)10-4-7-2-3-8(17)5-9(7)14-10/h2-6,14,17H,13H2,1H3
InChIKeyZUAJONGXSGVJJT-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.86
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol

2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol (PubChem CID 136985621) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
PubChem CID136985621
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
SMILESCn1nc(-c2cc3ccc(O)cc3[nH]2)cc1N
InChIInChI=1S/C12H12N4O/c1-16-12(13)6-11(15-16)10-4-7-2-3-8(17)5-9(7)14-10/h2-6,14,17H,13H2,1H3
InChIKeyZUAJONGXSGVJJT-UHFFFAOYSA-N
XLogP1.86
TPSA79.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985765
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985610
1-methyl-5-(6-methyl-1H-indol-2-yl)pyrazol-4-amine
CID 136986433
5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
CID 136968549
4-(5-amino-1-methylpyrazol-3-yl)-2-(difluoromethyl)phenol
CID 137017249
5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 136985793
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol (CID 136985621) is 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol is Cn1nc(-c2cc3ccc(O)cc3[nH]2)cc1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol?
The InChIKey is ZUAJONGXSGVJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-12(13)6-11(15-16)10-4-7-2-3-8(17)5-9(7)14-10/h2-6,14,17H,13H2,1H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol?
2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol has a molecular weight of 228.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol is sourced from PubChem (CID 136985621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).