2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol

C12H12N4O — CID 136986499

IUPAC2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol
SMILESCn1ncc(N)c1-c1cc2c(O)cccc2[nH]1
InChIInChI=1S/C12H12N4O/c1-16-12(8(13)6-14-16)10-5-7-9(15-10)3-2-4-11(7)17/h2-6,15,17H,13H2,1H3
InChIKeyXGBGMSGPBODLOY-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.86
Rot. Bonds1

About 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol

2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol (PubChem CID 136986499) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol.

Molecular Properties

Compound Name2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol
PubChem CID136986499
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol
SMILESCn1ncc(N)c1-c1cc2c(O)cccc2[nH]1
InChIInChI=1S/C12H12N4O/c1-16-12(8(13)6-14-16)10-5-7-9(15-10)3-2-4-11(7)17/h2-6,15,17H,13H2,1H3
InChIKeyXGBGMSGPBODLOY-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-(4-amino-1,2-oxazol-5-yl)-1H-indol-4-ol
CID 137016964
1-methyl-5-(6-methyl-1H-indol-2-yl)pyrazol-4-amine
CID 136986433
5-(2,5-dimethyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986277
5-(4-fluorophenyl)-1-methylpyrazol-4-amine
CID 28803587
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986323
5-(4-chlorophenyl)-1-methylpyrazol-4-amine
CID 28803588
6-(4-hydroxy-1H-indol-2-yl)pyridine-3-carboxylic acid
CID 136986560
5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986292
5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol
CID 117357774
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959
5-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-amine
CID 58063417
2-(cyclopenten-1-yl)-1H-indol-4-ol
CID 67273711

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol?
The IUPAC name of 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol (CID 136986499) is 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol.
What is the SMILES notation for 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol?
The canonical SMILES for 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol is Cn1ncc(N)c1-c1cc2c(O)cccc2[nH]1.
What is the InChIKey of 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol?
The InChIKey is XGBGMSGPBODLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-12(8(13)6-14-16)10-5-7-9(15-10)3-2-4-11(7)17/h2-6,15,17H,13H2,1H3.
What are the key properties of 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol?
2-(4-amino-1-methylpyrazol-5-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 2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol is sourced from PubChem (CID 136986499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).