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

C11H11N3O2 — CID 117309116

IUPAC4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c2OCO3)c1N
InChIInChI=1S/C11H11N3O2/c1-14-11(12)8(5-13-14)7-3-2-4-9-10(7)16-6-15-9/h2-5H,6,12H2,1H3
InChIKeyADGOFNQQWRAXOW-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.40
Rot. Bonds1

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

4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine (PubChem CID 117309116) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
PubChem CID117309116
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cccc3c2OCO3)c1N
InChIInChI=1S/C11H11N3O2/c1-14-11(12)8(5-13-14)7-3-2-4-9-10(7)16-6-15-9/h2-5H,6,12H2,1H3
InChIKeyADGOFNQQWRAXOW-UHFFFAOYSA-N
XLogP1.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117369926
4-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrazol-5-amine
CID 117330819
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-(2-methylphenyl)-1,3-benzodioxole
CID 22344656
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
1-methyl-4-(2-propan-2-ylphenyl)pyrazol-5-amine
CID 117307113
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
CID 117488438
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine (CID 117309116) is 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cccc3c2OCO3)c1N.
What is the InChIKey of 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
The InChIKey is ADGOFNQQWRAXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-11(12)8(5-13-14)7-3-2-4-9-10(7)16-6-15-9/h2-5H,6,12H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine?
4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine has a molecular weight of 217.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117309116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).