2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile

C9H6ClN5 — CID 107061490

IUPAC2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2ccc(N)n2)c1Cl
InChIInChI=1S/C9H6ClN5/c10-8-6(5-11)1-3-13-9(8)15-4-2-7(12)14-15/h1-4H,(H2,12,14)
InChIKeyITJZUTZKJSKJOG-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.37
Rot. Bonds1

About 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile

2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile (PubChem CID 107061490) has the molecular formula C9H6ClN5 and a molecular weight of 219.64 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile
PubChem CID107061490
Molecular FormulaC9H6ClN5
Molecular Weight219.64 g/mol
Exact Mass219.03
IUPAC Name2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(-n2ccc(N)n2)c1Cl
InChIInChI=1S/C9H6ClN5/c10-8-6(5-11)1-3-13-9(8)15-4-2-7(12)14-15/h1-4H,(H2,12,14)
InChIKeyITJZUTZKJSKJOG-UHFFFAOYSA-N
XLogP1.37
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile (CID 107061490) is 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(-n2ccc(N)n2)c1Cl.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile?
The InChIKey is ITJZUTZKJSKJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5/c10-8-6(5-11)1-3-13-9(8)15-4-2-7(12)14-15/h1-4H,(H2,12,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile?
2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile has a molecular weight of 219.64 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).