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

C10H9N3O2 — CID 19616634

IUPAC5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3c(c2)OCO3)[nH]n1
InChIInChI=1S/C10H9N3O2/c11-10-4-7(12-13-10)6-1-2-8-9(3-6)15-5-14-8/h1-4H,5H2,(H3,11,12,13)
InChIKeyAKOLIWNDJVYUDV-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.39
Rot. Bonds1

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

5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (PubChem CID 19616634) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
PubChem CID19616634
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3c(c2)OCO3)[nH]n1
InChIInChI=1S/C10H9N3O2/c11-10-4-7(12-13-10)6-1-2-8-9(3-6)15-5-14-8/h1-4H,5H2,(H3,11,12,13)
InChIKeyAKOLIWNDJVYUDV-UHFFFAOYSA-N
XLogP1.39
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
5-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1H-pyrazole
CID 58527204
1-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]piperazine
CID 56771406
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117306835
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
4-(1,3-benzodioxol-5-yl)-5-(2,2-dimethylcyclopropyl)-1H-pyrazol-3-amine
CID 107001708
3-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]benzoic acid
CID 141357487
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine (CID 19616634) is 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc3c(c2)OCO3)[nH]n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is AKOLIWNDJVYUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10-4-7(12-13-10)6-1-2-8-9(3-6)15-5-14-8/h1-4H,5H2,(H3,11,12,13).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine?
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 203.20 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 19616634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).