5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

C11H12N6OS — CID 102809221

IUPAC5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nn(-c2nccs2)c1N
InChIInChI=1S/C11H12N6OS/c12-7-8-9(13)17(11-14-1-6-19-11)15-10(8)16-2-4-18-5-3-16/h1,6H,2-5,13H2
InChIKeyGMVRQFDMIVSFKL-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.62
Rot. Bonds2

About 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile

5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (PubChem CID 102809221) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
PubChem CID102809221
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nn(-c2nccs2)c1N
InChIInChI=1S/C11H12N6OS/c12-7-8-9(13)17(11-14-1-6-19-11)15-10(8)16-2-4-18-5-3-16/h1,6H,2-5,13H2
InChIKeyGMVRQFDMIVSFKL-UHFFFAOYSA-N
XLogP0.62
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-3-(4-methylpiperidin-1-yl)-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 102796819
5-amino-3-morpholin-4-yl-1-pyrimidin-4-ylpyrazole-4-carbonitrile
CID 102809182
5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796825
5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
CID 102808763
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294
5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
5-chloro-3-cyclopentyl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile
CID 113390701
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
5-amino-1-(5-bromo-2-pyridinyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102796725
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796870

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile (CID 102809221) is 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is N#Cc1c(N2CCOCC2)nn(-c2nccs2)c1N.
What is the InChIKey of 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
The InChIKey is GMVRQFDMIVSFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c12-7-8-9(13)17(11-14-1-6-19-11)15-10(8)16-2-4-18-5-3-16/h1,6H,2-5,13H2.
What are the key properties of 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile?
5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile has a molecular weight of 276.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).