3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile

C12H13N5 — CID 68758151

IUPAC3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile
SMILESCCn1nc(N)c(C#N)c1Nc1ccccc1
InChIInChI=1S/C12H13N5/c1-2-17-12(10(8-13)11(14)16-17)15-9-6-4-3-5-7-9/h3-7,15H,2H2,1H3,(H2,14,16)
InChIKeyHGVTWOCCIJMBCE-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.10
Rot. Bonds3

About 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile

3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile (PubChem CID 68758151) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile
PubChem CID68758151
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile
SMILESCCn1nc(N)c(C#N)c1Nc1ccccc1
InChIInChI=1S/C12H13N5/c1-2-17-12(10(8-13)11(14)16-17)15-9-6-4-3-5-7-9/h3-7,15H,2H2,1H3,(H2,14,16)
InChIKeyHGVTWOCCIJMBCE-UHFFFAOYSA-N
XLogP2.10
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile (CID 68758151) is 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile is CCn1nc(N)c(C#N)c1Nc1ccccc1.
What is the InChIKey of 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile?
The InChIKey is HGVTWOCCIJMBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-2-17-12(10(8-13)11(14)16-17)15-9-6-4-3-5-7-9/h3-7,15H,2H2,1H3,(H2,14,16).
What are the key properties of 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile?
3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile is sourced from PubChem (CID 68758151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).