5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

C12H13N3O2 — CID 117334141

IUPAC5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESCc1c(-c2cc(N)n[nH]2)cc2c(c1C)OCO2
InChIInChI=1S/C12H13N3O2/c1-6-7(2)12-10(16-5-17-12)3-8(6)9-4-11(13)15-14-9/h3-4H,5H2,1-2H3,(H3,13,14,15)
InChIKeyBOYOCHSEQLDUAL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.00
Rot. Bonds1

About 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine

5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (PubChem CID 117334141) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
PubChem CID117334141
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESCc1c(-c2cc(N)n[nH]2)cc2c(c1C)OCO2
InChIInChI=1S/C12H13N3O2/c1-6-7(2)12-10(16-5-17-12)3-8(6)9-4-11(13)15-14-9/h3-4H,5H2,1-2H3,(H3,13,14,15)
InChIKeyBOYOCHSEQLDUAL-UHFFFAOYSA-N
XLogP2.00
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117482875
6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
CID 137017136
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
4-(3-amino-1H-pyrazol-5-yl)-6-fluoro-1,3-benzodioxol-5-ol
CID 137017138
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117427132
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine
CID 117435984
5-(2,5-dimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 24696659

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (CID 117334141) is 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is Cc1c(-c2cc(N)n[nH]2)cc2c(c1C)OCO2.
What is the InChIKey of 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is BOYOCHSEQLDUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-6-7(2)12-10(16-5-17-12)3-8(6)9-4-11(13)15-14-9/h3-4H,5H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 231.25 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117334141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).