5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol

C12H12N4O — CID 136968549

IUPAC5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
SMILESCn1nc(-c2ccc3[nH]ccc3c2O)cc1N
InChIInChI=1S/C12H12N4O/c1-16-11(13)6-10(15-16)7-2-3-9-8(12(7)17)4-5-14-9/h2-6,14,17H,13H2,1H3
InChIKeyFVSVSKUSLYERRZ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.86
Rot. Bonds1

About 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol

5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol (PubChem CID 136968549) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol.

Molecular Properties

Compound Name5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
PubChem CID136968549
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
SMILESCn1nc(-c2ccc3[nH]ccc3c2O)cc1N
InChIInChI=1S/C12H12N4O/c1-16-11(13)6-10(15-16)7-2-3-9-8(12(7)17)4-5-14-9/h2-6,14,17H,13H2,1H3
InChIKeyFVSVSKUSLYERRZ-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-(4-chloro-1H-indol-6-yl)-1-methylpyrazol-5-amine
CID 117369283
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-[2-(1H-imidazol-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117350766
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
5-iodo-1H-indol-4-ol
CID 15979130
2-(5-amino-1-methylpyrazol-3-yl)-1H-indol-6-ol
CID 136985621
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
CID 137013099
2-(5-amino-1-methylpyrazol-3-yl)-6-bromo-4-ethylphenol
CID 137003447
2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
CID 136963399

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol?
The IUPAC name of 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol (CID 136968549) is 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol.
What is the SMILES notation for 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol?
The canonical SMILES for 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol is Cn1nc(-c2ccc3[nH]ccc3c2O)cc1N.
What is the InChIKey of 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol?
The InChIKey is FVSVSKUSLYERRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-11(13)6-10(15-16)7-2-3-9-8(12(7)17)4-5-14-9/h2-6,14,17H,13H2,1H3.
What are the key properties of 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol?
5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-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 5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol is sourced from PubChem (CID 136968549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).