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

C12H12N4O — CID 136985765

IUPAC2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
SMILESCn1nc(N)cc1-c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H12N4O/c1-16-11(6-12(13)15-16)10-4-7-2-3-8(17)5-9(7)14-10/h2-6,14,17H,1H3,(H2,13,15)
InChIKeyOBABEUQXNWFRTM-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.86
Rot. Bonds1

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

2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol (PubChem CID 136985765) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol.

Molecular Properties

Compound Name2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
PubChem CID136985765
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
SMILESCn1nc(N)cc1-c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C12H12N4O/c1-16-11(6-12(13)15-16)10-4-7-2-3-8(17)5-9(7)14-10/h2-6,14,17H,1H3,(H2,13,15)
InChIKeyOBABEUQXNWFRTM-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-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
CID 136985621
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985875
5-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 136985793
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
1-methyl-5-(6-methyl-1H-indol-2-yl)pyrazol-4-amine
CID 136986433
1-methyl-5-(6-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
CID 115109869
3-(5-hydroxy-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985667
1-methyl-5-(5-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985778
3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-7-ol
CID 136985848
6-hydroxy-1H-indole-2-carbaldehyde
CID 82415497
3-(6-fluoro-1H-indol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985610

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
The IUPAC name of 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol (CID 136985765) is 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol.
What is the SMILES notation for 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
The canonical SMILES for 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol is Cn1nc(N)cc1-c1cc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
The InChIKey is OBABEUQXNWFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-11(6-12(13)15-16)10-4-7-2-3-8(17)5-9(7)14-10/h2-6,14,17H,1H3,(H2,13,15).
What are the key properties of 2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
2-(3-amino-1-methylpyrazol-5-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-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol is sourced from PubChem (CID 136985765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).