1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile

C14H16N4S — CID 55243286

IUPAC1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCc3sccc3C2C)c1C#N
InChIInChI=1S/C14H16N4S/c1-9-12(8-15)14(17(3)16-9)18-6-4-13-11(10(18)2)5-7-19-13/h5,7,10H,4,6H2,1-3H3
InChIKeyVMXBIBHAXGOWTA-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.79
Rot. Bonds1

About 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile

1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile (PubChem CID 55243286) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile
PubChem CID55243286
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCc3sccc3C2C)c1C#N
InChIInChI=1S/C14H16N4S/c1-9-12(8-15)14(17(3)16-9)18-6-4-13-11(10(18)2)5-7-19-13/h5,7,10H,4,6H2,1-3H3
InChIKeyVMXBIBHAXGOWTA-UHFFFAOYSA-N
XLogP2.79
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 94015449
5,6-dimethyl-2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-3-oxopyridazine-4-carbonitrile
CID 9321756
5-(2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63751129
1,3-dimethyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrazole-4-carbonitrile
CID 114410006
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815106
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1,3-thiazole-5-carbaldehyde
CID 62766605
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetonitrile
CID 60699782
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
CID 60699752
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65320667
5-(3-aminoazetidin-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 65249409
5-(6-chloro-5-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 63729494
5-(2-chloro-6-methylpyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 62482407

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile (CID 55243286) is 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile is Cc1nn(C)c(N2CCc3sccc3C2C)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile?
The InChIKey is VMXBIBHAXGOWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-12(8-15)14(17(3)16-9)18-6-4-13-11(10(18)2)5-7-19-13/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile?
1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 55243286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).