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

C13H14N4O — CID 117357774

IUPAC5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol
SMILESCc1cc2c(O)c(-c3cnn(C)c3N)ccc2[nH]1
InChIInChI=1S/C13H14N4O/c1-7-5-9-11(16-7)4-3-8(12(9)18)10-6-15-17(2)13(10)14/h3-6,16,18H,14H2,1-2H3
InChIKeyITNRVABHDBBEMO-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds1

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

5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol (PubChem CID 117357774) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol.

Molecular Properties

Compound Name5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol
PubChem CID117357774
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol
SMILESCc1cc2c(O)c(-c3cnn(C)c3N)ccc2[nH]1
InChIInChI=1S/C13H14N4O/c1-7-5-9-11(16-7)4-3-8(12(9)18)10-6-15-17(2)13(10)14/h3-6,16,18H,14H2,1-2H3
InChIKeyITNRVABHDBBEMO-UHFFFAOYSA-N
XLogP2.16
TPSA79.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-2-methyl-1H-indol-5-ol
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2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol
CID 117342713
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
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CID 62901487

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol?
The IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol (CID 117357774) is 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol.
What is the SMILES notation for 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol?
The canonical SMILES for 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol is Cc1cc2c(O)c(-c3cnn(C)c3N)ccc2[nH]1.
What is the InChIKey of 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol?
The InChIKey is ITNRVABHDBBEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-7-5-9-11(16-7)4-3-8(12(9)18)10-6-15-17(2)13(10)14/h3-6,16,18H,14H2,1-2H3.
What are the key properties of 5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol?
5-(5-amino-1-methylpyrazol-4-yl)-2-methyl-1H-indol-4-ol has a molecular weight of 242.28 g/mol, XLogP of 2.16, 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-4-yl)-2-methyl-1H-indol-4-ol is sourced from PubChem (CID 117357774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).