3-amino-1-ethylpyrazole-4-carbonitrile

C6H8N4 — CID 10773029

IUPAC3-amino-1-ethylpyrazole-4-carbonitrile
SMILESCCn1cc(C#N)c(N)n1
InChIInChI=1S/C6H8N4/c1-2-10-4-5(3-7)6(8)9-10/h4H,2H2,1H3,(H2,8,9)
InChIKeyOALFQLAIPMSUAW-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.36
Rot. Bonds1

About 3-amino-1-ethylpyrazole-4-carbonitrile

3-amino-1-ethylpyrazole-4-carbonitrile (PubChem CID 10773029) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 3-amino-1-ethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-ethylpyrazole-4-carbonitrile
PubChem CID10773029
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name3-amino-1-ethylpyrazole-4-carbonitrile
SMILESCCn1cc(C#N)c(N)n1
InChIInChI=1S/C6H8N4/c1-2-10-4-5(3-7)6(8)9-10/h4H,2H2,1H3,(H2,8,9)
InChIKeyOALFQLAIPMSUAW-UHFFFAOYSA-N
XLogP0.36
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-ethylpyrazole-4-carbonitrile (CID 10773029) is 3-amino-1-ethylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-ethylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-ethylpyrazole-4-carbonitrile is CCn1cc(C#N)c(N)n1.
What is the InChIKey of 3-amino-1-ethylpyrazole-4-carbonitrile?
The InChIKey is OALFQLAIPMSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-2-10-4-5(3-7)6(8)9-10/h4H,2H2,1H3,(H2,8,9).
What are the key properties of 3-amino-1-ethylpyrazole-4-carbonitrile?
3-amino-1-ethylpyrazole-4-carbonitrile has a molecular weight of 136.16 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethylpyrazole-4-carbonitrile is sourced from PubChem (CID 10773029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).