1-(2-aminoethyl)pyrazole-4-carbonitrile

C6H8N4 — CID 54594131

IUPAC1-(2-aminoethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCN)c1
InChIInChI=1S/C6H8N4/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-2,7H2
InChIKeyAXUGJWJOACLTEH-UHFFFAOYSA-N
MW136.16 g/mol
LogP-0.29
Rot. Bonds2

About 1-(2-aminoethyl)pyrazole-4-carbonitrile

1-(2-aminoethyl)pyrazole-4-carbonitrile (PubChem CID 54594131) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrazole-4-carbonitrile
PubChem CID54594131
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1-(2-aminoethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCN)c1
InChIInChI=1S/C6H8N4/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-2,7H2
InChIKeyAXUGJWJOACLTEH-UHFFFAOYSA-N
XLogP-0.29
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(2-aminoethyl)pyrazole-4-carbonitrile (CID 54594131) is 1-(2-aminoethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-aminoethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-aminoethyl)pyrazole-4-carbonitrile is N#Cc1cnn(CCN)c1.
What is the InChIKey of 1-(2-aminoethyl)pyrazole-4-carbonitrile?
The InChIKey is AXUGJWJOACLTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-1-2-10-5-6(3-8)4-9-10/h4-5H,1-2,7H2.
What are the key properties of 1-(2-aminoethyl)pyrazole-4-carbonitrile?
1-(2-aminoethyl)pyrazole-4-carbonitrile has a molecular weight of 136.16 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 54594131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).