5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile

C11H12N4S — CID 115899681

IUPAC5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
SMILESCc1c(NCc2ccc(C#N)s2)cnn1C
InChIInChI=1S/C11H12N4S/c1-8-11(7-14-15(8)2)13-6-10-4-3-9(5-12)16-10/h3-4,7,13H,6H2,1-2H3
InChIKeyNJHIQDFLQJOGAI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.27
Rot. Bonds3

About 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile

5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile (PubChem CID 115899681) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
PubChem CID115899681
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
SMILESCc1c(NCc2ccc(C#N)s2)cnn1C
InChIInChI=1S/C11H12N4S/c1-8-11(7-14-15(8)2)13-6-10-4-3-9(5-12)16-10/h3-4,7,13H,6H2,1-2H3
InChIKeyNJHIQDFLQJOGAI-UHFFFAOYSA-N
XLogP2.27
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile (CID 115899681) is 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile is Cc1c(NCc2ccc(C#N)s2)cnn1C.
What is the InChIKey of 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile?
The InChIKey is NJHIQDFLQJOGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-11(7-14-15(8)2)13-6-10-4-3-9(5-12)16-10/h3-4,7,13H,6H2,1-2H3.
What are the key properties of 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile?
5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile has a molecular weight of 232.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 115899681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).