5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

C11H11N3O3 — CID 117337654

IUPAC5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)cc2c1OCO2
InChIInChI=1S/C11H11N3O3/c1-15-8-2-6(7-4-10(12)14-13-7)3-9-11(8)17-5-16-9/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyIVDVWFOZCRZEBG-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.40
Rot. Bonds2

About 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (PubChem CID 117337654) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
PubChem CID117337654
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESCOc1cc(-c2cc(N)n[nH]2)cc2c1OCO2
InChIInChI=1S/C11H11N3O3/c1-15-8-2-6(7-4-10(12)14-13-7)3-9-11(8)17-5-16-9/h2-4H,5H2,1H3,(H3,12,13,14)
InChIKeyIVDVWFOZCRZEBG-UHFFFAOYSA-N
XLogP1.40
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 126610608
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]aniline
CID 59430123
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117334141
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
4-(3-amino-1H-pyrazol-5-yl)-6-fluoro-1,3-benzodioxol-5-ol
CID 137017138
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
4-amino-3-chloro-5-fluoro-6-(7-methoxy-1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid
CID 90437752
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-3-yl]benzenethiol
CID 90824771
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
CID 58178077

Frequently Asked Questions

What is the IUPAC name of 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (CID 117337654) is 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is COc1cc(-c2cc(N)n[nH]2)cc2c1OCO2.
What is the InChIKey of 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is IVDVWFOZCRZEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-15-8-2-6(7-4-10(12)14-13-7)3-9-11(8)17-5-16-9/h2-4H,5H2,1H3,(H3,12,13,14).
What are the key properties of 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 233.23 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117337654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).