5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine

C14H16N4O — CID 135479895

IUPAC5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
SMILESCOc1ccc2[nH]cc(-c3c(N)c(C)nn3C)c2c1
InChIInChI=1S/C14H16N4O/c1-8-13(15)14(18(2)17-8)11-7-16-12-5-4-9(19-3)6-10(11)12/h4-7,16H,15H2,1-3H3
InChIKeyAPEOGDVANXIVKC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.47
Rot. Bonds2

About 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine

5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 135479895) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID135479895
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
SMILESCOc1ccc2[nH]cc(-c3c(N)c(C)nn3C)c2c1
InChIInChI=1S/C14H16N4O/c1-8-13(15)14(18(2)17-8)11-7-16-12-5-4-9(19-3)6-10(11)12/h4-7,16H,15H2,1-3H3
InChIKeyAPEOGDVANXIVKC-UHFFFAOYSA-N
XLogP2.47
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-3-(1-methyltetrazol-5-yl)-1H-quinolin-4-one
CID 135802407
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
5-(5-methoxy-1H-indol-3-yl)-2H-triazole-4-carbonitrile
CID 137146928
2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55838692
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986323
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
2-(5-methoxy-1H-indol-3-yl)benzaldehyde
CID 45485466
5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine
CID 123591416
3-(5-methoxy-1H-indol-3-yl)-1-methyl-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650713
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986292

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine (CID 135479895) is 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine is COc1ccc2[nH]cc(-c3c(N)c(C)nn3C)c2c1.
What is the InChIKey of 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is APEOGDVANXIVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-13(15)14(18(2)17-8)11-7-16-12-5-4-9(19-3)6-10(11)12/h4-7,16H,15H2,1-3H3.
What are the key properties of 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine?
5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 256.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 135479895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).