3-amino-1-prop-2-enylpyrazole-4-carbonitrile

C7H8N4 — CID 10582924

IUPAC3-amino-1-prop-2-enylpyrazole-4-carbonitrile
SMILESC=CCn1cc(C#N)c(N)n1
InChIInChI=1S/C7H8N4/c1-2-3-11-5-6(4-8)7(9)10-11/h2,5H,1,3H2,(H2,9,10)
InChIKeyRTUCTYZZNCVGAO-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.52
Rot. Bonds2

About 3-amino-1-prop-2-enylpyrazole-4-carbonitrile

3-amino-1-prop-2-enylpyrazole-4-carbonitrile (PubChem CID 10582924) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 3-amino-1-prop-2-enylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-prop-2-enylpyrazole-4-carbonitrile
PubChem CID10582924
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name3-amino-1-prop-2-enylpyrazole-4-carbonitrile
SMILESC=CCn1cc(C#N)c(N)n1
InChIInChI=1S/C7H8N4/c1-2-3-11-5-6(4-8)7(9)10-11/h2,5H,1,3H2,(H2,9,10)
InChIKeyRTUCTYZZNCVGAO-UHFFFAOYSA-N
XLogP0.52
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-prop-2-enylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-prop-2-enylpyrazole-4-carbonitrile (CID 10582924) is 3-amino-1-prop-2-enylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-prop-2-enylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-prop-2-enylpyrazole-4-carbonitrile is C=CCn1cc(C#N)c(N)n1.
What is the InChIKey of 3-amino-1-prop-2-enylpyrazole-4-carbonitrile?
The InChIKey is RTUCTYZZNCVGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-2-3-11-5-6(4-8)7(9)10-11/h2,5H,1,3H2,(H2,9,10).
What are the key properties of 3-amino-1-prop-2-enylpyrazole-4-carbonitrile?
3-amino-1-prop-2-enylpyrazole-4-carbonitrile has a molecular weight of 148.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-prop-2-enylpyrazole-4-carbonitrile is sourced from PubChem (CID 10582924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).