5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile

C7H10N4S — CID 61265870

IUPAC5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile
SMILESCCn1nc(SC)c(C#N)c1N
InChIInChI=1S/C7H10N4S/c1-3-11-6(9)5(4-8)7(10-11)12-2/h3,9H2,1-2H3
InChIKeyBZGUQDSGCBTIGG-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.08
Rot. Bonds2

About 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile

5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile (PubChem CID 61265870) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile
PubChem CID61265870
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile
SMILESCCn1nc(SC)c(C#N)c1N
InChIInChI=1S/C7H10N4S/c1-3-11-6(9)5(4-8)7(10-11)12-2/h3,9H2,1-2H3
InChIKeyBZGUQDSGCBTIGG-UHFFFAOYSA-N
XLogP1.08
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile (CID 61265870) is 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile is CCn1nc(SC)c(C#N)c1N.
What is the InChIKey of 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile?
The InChIKey is BZGUQDSGCBTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c1-3-11-6(9)5(4-8)7(10-11)12-2/h3,9H2,1-2H3.
What are the key properties of 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile?
5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile has a molecular weight of 182.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3-methylsulfanylpyrazole-4-carbonitrile is sourced from PubChem (CID 61265870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).