5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol

C10H9N3O3 — CID 117311798

IUPAC5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
SMILESNc1[nH]ncc1-c1ccc2c(c1O)OCO2
InChIInChI=1S/C10H9N3O3/c11-10-6(3-12-13-10)5-1-2-7-9(8(5)14)16-4-15-7/h1-3,14H,4H2,(H3,11,12,13)
InChIKeyVRGZUQXXJOOBBN-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.09
Rot. Bonds1

About 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol

5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol (PubChem CID 117311798) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
PubChem CID117311798
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
SMILESNc1[nH]ncc1-c1ccc2c(c1O)OCO2
InChIInChI=1S/C10H9N3O3/c11-10-6(3-12-13-10)5-1-2-7-9(8(5)14)16-4-15-7/h1-3,14H,4H2,(H3,11,12,13)
InChIKeyVRGZUQXXJOOBBN-UHFFFAOYSA-N
XLogP1.09
TPSA93.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117451305
4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
CID 117298182
5-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-benzodioxol-4-ol
CID 797615
6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
CID 117312168
4-(6-bromo-2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-amine
CID 117476939
5-(5-amino-1H-pyrazol-4-yl)-1-benzothiophen-4-ol
CID 117334249
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117380453
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol?
The IUPAC name of 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol (CID 117311798) is 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol.
What is the SMILES notation for 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol?
The canonical SMILES for 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol is Nc1[nH]ncc1-c1ccc2c(c1O)OCO2.
What is the InChIKey of 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol?
The InChIKey is VRGZUQXXJOOBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10-6(3-12-13-10)5-1-2-7-9(8(5)14)16-4-15-7/h1-3,14H,4H2,(H3,11,12,13).
What are the key properties of 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol?
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol has a molecular weight of 219.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol is sourced from PubChem (CID 117311798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).