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

C6H7BrN4 — CID 118025200

IUPAC5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile
SMILESCCn1nc(Br)c(C#N)c1N
InChIInChI=1S/C6H7BrN4/c1-2-11-6(9)4(3-8)5(7)10-11/h2,9H2,1H3
InChIKeyJKMUZVPOYCYDHQ-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.12
Rot. Bonds1

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

5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile (PubChem CID 118025200) has the molecular formula C6H7BrN4 and a molecular weight of 215.05 g/mol. Its IUPAC name is 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile
PubChem CID118025200
Molecular FormulaC6H7BrN4
Molecular Weight215.05 g/mol
Exact Mass213.99
IUPAC Name5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile
SMILESCCn1nc(Br)c(C#N)c1N
InChIInChI=1S/C6H7BrN4/c1-2-11-6(9)4(3-8)5(7)10-11/h2,9H2,1H3
InChIKeyJKMUZVPOYCYDHQ-UHFFFAOYSA-N
XLogP1.12
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile (CID 118025200) is 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile is CCn1nc(Br)c(C#N)c1N.
What is the InChIKey of 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile?
The InChIKey is JKMUZVPOYCYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4/c1-2-11-6(9)4(3-8)5(7)10-11/h2,9H2,1H3.
What are the key properties of 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile?
5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile has a molecular weight of 215.05 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-ethylpyrazole-4-carbonitrile is sourced from PubChem (CID 118025200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).