6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol

C10H9N3O3 — CID 136993722

IUPAC6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(cc2O)OCO3)[nH]n1
InChIInChI=1S/C10H9N3O3/c11-10-2-6(12-13-10)5-1-8-9(3-7(5)14)16-4-15-8/h1-3,14H,4H2,(H3,11,12,13)
InChIKeyUHJUJDNOXGCYEO-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.09
Rot. Bonds1

About 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol

6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol (PubChem CID 136993722) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
PubChem CID136993722
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(cc2O)OCO3)[nH]n1
InChIInChI=1S/C10H9N3O3/c11-10-2-6(12-13-10)5-1-8-9(3-7(5)14)16-4-15-8/h1-3,14H,4H2,(H3,11,12,13)
InChIKeyUHJUJDNOXGCYEO-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

5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
CID 137017136
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117334141
6-(5-amino-1,2-oxazol-4-yl)-1,3-benzodioxol-5-ol
CID 117313712
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
5-(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117482875
4-(3-amino-1H-pyrazol-5-yl)-6-fluoro-1,3-benzodioxol-5-ol
CID 137017138
3-(6-hydroxy-1,3-benzodioxol-5-yl)-1H-pyrazole-5-carboxylic acid
CID 136997983
5-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1H-pyrazol-3-amine
CID 117459208
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol (CID 136993722) is 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol is Nc1cc(-c2cc3c(cc2O)OCO3)[nH]n1.
What is the InChIKey of 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol?
The InChIKey is UHJUJDNOXGCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-10-2-6(12-13-10)5-1-8-9(3-7(5)14)16-4-15-8/h1-3,14H,4H2,(H3,11,12,13).
What are the key properties of 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol?
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-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 6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 136993722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).