4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride

C6H9ClN4 — CID 102565478

IUPAC4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride
SMILESCCn1cc(N)c(C#N)n1.Cl
InChIInChI=1S/C6H8N4.ClH/c1-2-10-4-5(8)6(3-7)9-10;/h4H,2,8H2,1H3;1H
InChIKeyVWUBUOTZWHLCRI-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.78
Rot. Bonds1

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

4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride (PubChem CID 102565478) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride
PubChem CID102565478
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride
SMILESCCn1cc(N)c(C#N)n1.Cl
InChIInChI=1S/C6H8N4.ClH/c1-2-10-4-5(8)6(3-7)9-10;/h4H,2,8H2,1H3;1H
InChIKeyVWUBUOTZWHLCRI-UHFFFAOYSA-N
XLogP0.78
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride?
The IUPAC name of 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride (CID 102565478) is 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride is CCn1cc(N)c(C#N)n1.Cl.
What is the InChIKey of 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride?
The InChIKey is VWUBUOTZWHLCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4.ClH/c1-2-10-4-5(8)6(3-7)9-10;/h4H,2,8H2,1H3;1H.
What are the key properties of 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride?
4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride has a molecular weight of 172.62 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethylpyrazole-3-carbonitrile;hydrochloride is sourced from PubChem (CID 102565478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).