1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile

C11H9N5 — CID 2797766

IUPAC1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
SMILESN#CCCn1ncc(C#N)c1-n1cccc1
InChIInChI=1S/C11H9N5/c12-4-3-7-16-11(10(8-13)9-14-16)15-5-1-2-6-15/h1-2,5-6,9H,3,7H2
InChIKeyGXAYPWSTSOHGOS-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.46
Rot. Bonds3

About 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile

1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile (PubChem CID 2797766) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
PubChem CID2797766
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
SMILESN#CCCn1ncc(C#N)c1-n1cccc1
InChIInChI=1S/C11H9N5/c12-4-3-7-16-11(10(8-13)9-14-16)15-5-1-2-6-15/h1-2,5-6,9H,3,7H2
InChIKeyGXAYPWSTSOHGOS-UHFFFAOYSA-N
XLogP1.46
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile (CID 2797766) is 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile is N#CCCn1ncc(C#N)c1-n1cccc1.
What is the InChIKey of 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile?
The InChIKey is GXAYPWSTSOHGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-4-3-7-16-11(10(8-13)9-14-16)15-5-1-2-6-15/h1-2,5-6,9H,3,7H2.
What are the key properties of 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile?
1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile has a molecular weight of 211.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 2797766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).