3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine

C8H8ClN5 — CID 66769939

IUPAC3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine
SMILESNc1c(Cl)nn(-c2ccccn2)c1N
InChIInChI=1S/C8H8ClN5/c9-7-6(10)8(11)14(13-7)5-3-1-2-4-12-5/h1-4H,10-11H2
InChIKeyLABFESLOXVXTSV-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.09
Rot. Bonds1

About 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine

3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine (PubChem CID 66769939) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine
PubChem CID66769939
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine
SMILESNc1c(Cl)nn(-c2ccccn2)c1N
InChIInChI=1S/C8H8ClN5/c9-7-6(10)8(11)14(13-7)5-3-1-2-4-12-5/h1-4H,10-11H2
InChIKeyLABFESLOXVXTSV-UHFFFAOYSA-N
XLogP1.09
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine?
The IUPAC name of 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine (CID 66769939) is 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine is Nc1c(Cl)nn(-c2ccccn2)c1N.
What is the InChIKey of 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine?
The InChIKey is LABFESLOXVXTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-7-6(10)8(11)14(13-7)5-3-1-2-4-12-5/h1-4H,10-11H2.
What are the key properties of 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine?
3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine has a molecular weight of 209.64 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-pyridin-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66769939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).