4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine

C15H12N4O2 — CID 62824445

IUPAC4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccccn2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N4O2/c16-15-13(9-4-5-11-12(7-9)21-8-20-11)14(18-19-15)10-3-1-2-6-17-10/h1-7H,8H2,(H3,16,18,19)
InChIKeyLZUDITQXLJOVRY-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.45
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine

4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 62824445) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID62824445
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccccn2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12N4O2/c16-15-13(9-4-5-11-12(7-9)21-8-20-11)14(18-19-15)10-3-1-2-6-17-10/h1-7H,8H2,(H3,16,18,19)
InChIKeyLZUDITQXLJOVRY-UHFFFAOYSA-N
XLogP2.45
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine (CID 62824445) is 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccccn2)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is LZUDITQXLJOVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-15-13(9-4-5-11-12(7-9)21-8-20-11)14(18-19-15)10-3-1-2-6-17-10/h1-7H,8H2,(H3,16,18,19).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine?
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 280.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62824445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).