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

C12H12N4O — CID 136985875

IUPAC3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
SMILESCn1nc(N)cc1-c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C12H12N4O/c1-16-11(5-12(13)15-16)9-6-14-10-4-7(17)2-3-8(9)10/h2-6,14,17H,1H3,(H2,13,15)
InChIKeyKHVOEMIZOCEUBC-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.86
Rot. Bonds1

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

3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol (PubChem CID 136985875) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol.

Molecular Properties

Compound Name3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
PubChem CID136985875
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
SMILESCn1nc(N)cc1-c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C12H12N4O/c1-16-11(5-12(13)15-16)9-6-14-10-4-7(17)2-3-8(9)10/h2-6,14,17H,1H3,(H2,13,15)
InChIKeyKHVOEMIZOCEUBC-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

3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-7-ol
CID 136985848
2-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol
CID 136985765
1-methyl-5-(6-methyl-1H-indol-3-yl)pyrazole-3-carboxylic acid
CID 136985862
5-(1H-indol-3-yl)-N,1-dimethylpyrazol-3-amine
CID 136995821
3-amino-7-hydroxy-1H-quinolin-4-one
CID 115014622
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-(1-fluoroethyl)-1H-indol-6-ol
CID 84656821
7-hydroxy-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 71356875
3-(5-hydroxy-1H-indol-3-yl)-1H-indole-6-carboxylic acid
CID 59364245
2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
CID 136985621
3-iodo-1-methylindazol-6-ol
CID 136948963
3-(4-aminophenyl)-1H-indol-6-amine
CID 67112268

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
The IUPAC name of 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol (CID 136985875) is 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol.
What is the SMILES notation for 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
The canonical SMILES for 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol is Cn1nc(N)cc1-c1c[nH]c2cc(O)ccc12.
What is the InChIKey of 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
The InChIKey is KHVOEMIZOCEUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-11(5-12(13)15-16)9-6-14-10-4-7(17)2-3-8(9)10/h2-6,14,17H,1H3,(H2,13,15).
What are the key properties of 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol?
3-(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 3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-6-ol is sourced from PubChem (CID 136985875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).