4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine

C12H13N3O3 — CID 117369926

IUPAC4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc2c(c(-c3cnn(C)c3N)c1)OCO2
InChIInChI=1S/C12H13N3O3/c1-15-12(13)9(5-14-15)8-3-7(16-2)4-10-11(8)18-6-17-10/h3-5H,6,13H2,1-2H3
InChIKeyQEMBAMQVAZBCCW-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.41
Rot. Bonds2

About 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine

4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine (PubChem CID 117369926) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
PubChem CID117369926
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
SMILESCOc1cc2c(c(-c3cnn(C)c3N)c1)OCO2
InChIInChI=1S/C12H13N3O3/c1-15-12(13)9(5-14-15)8-3-7(16-2)4-10-11(8)18-6-17-10/h3-5H,6,13H2,1-2H3
InChIKeyQEMBAMQVAZBCCW-UHFFFAOYSA-N
XLogP1.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117309116
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
4-(6-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382481
4-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117418429
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(3-fluoro-5-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117315496
4-(5-methoxy-1,3-benzoxathiol-6-yl)-1-methylpyrazol-5-amine
CID 117412695
4-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-methylpyrazol-5-amine
CID 117412217
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
CID 117390500
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine (CID 117369926) is 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine is COc1cc2c(c(-c3cnn(C)c3N)c1)OCO2.
What is the InChIKey of 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The InChIKey is QEMBAMQVAZBCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-12(13)9(5-14-15)8-3-7(16-2)4-10-11(8)18-6-17-10/h3-5H,6,13H2,1-2H3.
What are the key properties of 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine has a molecular weight of 247.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117369926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).