2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol

C12H12N4O — CID 137016984

IUPAC2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
SMILESCn1c(-c2[nH]ncc2N)cc2c(O)cccc21
InChIInChI=1S/C12H12N4O/c1-16-9-3-2-4-11(17)7(9)5-10(16)12-8(13)6-14-15-12/h2-6,17H,13H2,1H3,(H,14,15)
InChIKeyJFRZBYZDDOLQSW-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.86
Rot. Bonds1

About 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol

2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol (PubChem CID 137016984) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol.

Molecular Properties

Compound Name2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
PubChem CID137016984
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol
SMILESCn1c(-c2[nH]ncc2N)cc2c(O)cccc21
InChIInChI=1S/C12H12N4O/c1-16-9-3-2-4-11(17)7(9)5-10(16)12-8(13)6-14-15-12/h2-6,17H,13H2,1H3,(H,14,15)
InChIKeyJFRZBYZDDOLQSW-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 ≤ 500228.25
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269
5-(4-bromo-1,2-dimethylindol-3-yl)-1H-pyrazol-4-amine
CID 115109196
5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 82390701
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
CID 115107860
5-[1,2-dimethyl-5-(trifluoromethyl)indol-3-yl]-1H-pyrazol-4-amine
CID 115108997
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
5-(4-fluoro-1H-indol-2-yl)-1H-pyrazol-4-amine
CID 137016959
2-(1,1-difluoroethyl)-1-methylindol-4-ol
CID 84678190
4-amino-1-methylindole-2-carboxylic acid
CID 84771435
2-(4-amino-1-methylpyrazol-5-yl)-1H-indol-4-ol
CID 136986499

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol?
The IUPAC name of 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol (CID 137016984) is 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol.
What is the SMILES notation for 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol?
The canonical SMILES for 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol is Cn1c(-c2[nH]ncc2N)cc2c(O)cccc21.
What is the InChIKey of 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol?
The InChIKey is JFRZBYZDDOLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-16-9-3-2-4-11(17)7(9)5-10(16)12-8(13)6-14-15-12/h2-6,17H,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol?
2-(4-amino-1H-pyrazol-5-yl)-1-methylindol-4-ol has a molecular weight of 228.25 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-1H-pyrazol-5-yl)-1-methylindol-4-ol is sourced from PubChem (CID 137016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).