4,5-dipyridin-4-yl-1H-pyrazol-3-amine

C13H11N5 — CID 80524588

IUPAC4,5-dipyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C13H11N5/c14-13-11(9-1-5-15-6-2-9)12(17-18-13)10-3-7-16-8-4-10/h1-8H,(H3,14,17,18)
InChIKeyIBIYYVVICNXFIX-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.12
Rot. Bonds2

About 4,5-dipyridin-4-yl-1H-pyrazol-3-amine

4,5-dipyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80524588) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4,5-dipyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-dipyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80524588
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name4,5-dipyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C13H11N5/c14-13-11(9-1-5-15-6-2-9)12(17-18-13)10-3-7-16-8-4-10/h1-8H,(H3,14,17,18)
InChIKeyIBIYYVVICNXFIX-UHFFFAOYSA-N
XLogP2.12
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dipyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 4,5-dipyridin-4-yl-1H-pyrazol-3-amine (CID 80524588) is 4,5-dipyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-dipyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-dipyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccncc2)c1-c1ccncc1.
What is the InChIKey of 4,5-dipyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is IBIYYVVICNXFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-13-11(9-1-5-15-6-2-9)12(17-18-13)10-3-7-16-8-4-10/h1-8H,(H3,14,17,18).
What are the key properties of 4,5-dipyridin-4-yl-1H-pyrazol-3-amine?
4,5-dipyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 237.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80524588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).