5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile

C8H12N4 — CID 63757322

IUPAC5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C8H12N4/c1-4-10-8-7(5-9)6(2)11-12(8)3/h10H,4H2,1-3H3
InChIKeyIBMPOPNXISEJEL-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.03
Rot. Bonds2

About 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile

5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63757322) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63757322
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCNc1c(C#N)c(C)nn1C
InChIInChI=1S/C8H12N4/c1-4-10-8-7(5-9)6(2)11-12(8)3/h10H,4H2,1-3H3
InChIKeyIBMPOPNXISEJEL-UHFFFAOYSA-N
XLogP1.03
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile (CID 63757322) is 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile is CCNc1c(C#N)c(C)nn1C.
What is the InChIKey of 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is IBMPOPNXISEJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-4-10-8-7(5-9)6(2)11-12(8)3/h10H,4H2,1-3H3.
What are the key properties of 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63757322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).