5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile

C11H11N5S — CID 63756318

IUPAC5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2ncccc2N)c1C#N
InChIInChI=1S/C11H11N5S/c1-7-8(6-12)11(16(2)15-7)17-10-9(13)4-3-5-14-10/h3-5H,13H2,1-2H3
InChIKeyIJDIKAQSMHHVLN-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.73
Rot. Bonds2

About 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile

5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63756318) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63756318
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2ncccc2N)c1C#N
InChIInChI=1S/C11H11N5S/c1-7-8(6-12)11(16(2)15-7)17-10-9(13)4-3-5-14-10/h3-5H,13H2,1-2H3
InChIKeyIJDIKAQSMHHVLN-UHFFFAOYSA-N
XLogP1.73
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-(4-propan-2-ylphenyl)sulfanylpyrazole-4-carbonitrile
CID 55243875
5-(2,4-dimethylphenyl)sulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63751661
1,3-dimethyl-5-(2-methylfuran-3-yl)sulfanylpyrazole-4-carbonitrile
CID 107780125
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63752008
1,3-dimethyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazole-4-carbonitrile
CID 63752524
1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazole-4-carbonitrile
CID 63751829
5-(2-amino-6-chlorophenoxy)-1,3-dimethylpyrazole-4-carbonitrile
CID 107717831
5-cyclopentylsulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63753031
1,3-dimethyl-5-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanyl]pyrazole-4-carbonitrile
CID 107785914
3-(4-cyano-1,3-dimethylpyrazol-5-yl)oxypyridine-2-carboxylic acid
CID 63758399
1,3-dimethyl-5-(3-methylbutylsulfanyl)pyrazole-4-carbonitrile
CID 107749424
ethyl 5-(4-cyano-1,3-dimethylpyrazol-5-yl)sulfanyl-1,3,4-oxadiazole-2-carboxylate
CID 116700479

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile (CID 63756318) is 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(Sc2ncccc2N)c1C#N.
What is the InChIKey of 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is IJDIKAQSMHHVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-7-8(6-12)11(16(2)15-7)17-10-9(13)4-3-5-14-10/h3-5H,13H2,1-2H3.
What are the key properties of 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63756318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).