6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol

C10H8FN3O3 — CID 137017136

IUPAC6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(c(F)c2O)OCO3)[nH]n1
InChIInChI=1S/C10H8FN3O3/c11-8-9(15)4(5-2-7(12)14-13-5)1-6-10(8)17-3-16-6/h1-2,15H,3H2,(H3,12,13,14)
InChIKeyLMSIJLJWSPYQSD-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.23
Rot. Bonds1

About 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol

6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol (PubChem CID 137017136) has the molecular formula C10H8FN3O3 and a molecular weight of 237.19 g/mol. Its IUPAC name is 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
PubChem CID137017136
Molecular FormulaC10H8FN3O3
Molecular Weight237.19 g/mol
Exact Mass237.05
IUPAC Name6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(c(F)c2O)OCO3)[nH]n1
InChIInChI=1S/C10H8FN3O3/c11-8-9(15)4(5-2-7(12)14-13-5)1-6-10(8)17-3-16-6/h1-2,15H,3H2,(H3,12,13,14)
InChIKeyLMSIJLJWSPYQSD-UHFFFAOYSA-N
XLogP1.23
TPSA93.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117334141
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117427132
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
6-(2-aminoethyl)-4-fluoro-1,3-benzodioxol-5-ol
CID 117288236
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
7-(5-amino-1-methylpyrazol-3-yl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 137004842
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
5-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1H-pyrazol-3-amine
CID 117459208

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol (CID 137017136) is 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol is Nc1cc(-c2cc3c(c(F)c2O)OCO3)[nH]n1.
What is the InChIKey of 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
The InChIKey is LMSIJLJWSPYQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O3/c11-8-9(15)4(5-2-7(12)14-13-5)1-6-10(8)17-3-16-6/h1-2,15H,3H2,(H3,12,13,14).
What are the key properties of 6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
6-(3-amino-1H-pyrazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol has a molecular weight of 237.19 g/mol, XLogP of 1.23, 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)-4-fluoro-1,3-benzodioxol-5-ol is sourced from PubChem (CID 137017136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).