4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile

C6H5N3S — CID 89244229

IUPAC4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile
SMILESN#CC1Cc2cn[nH]c2S1
InChIInChI=1S/C6H5N3S/c7-2-5-1-4-3-8-9-6(4)10-5/h3,5H,1H2,(H,8,9)
InChIKeyJSXOTUDLNAGIKS-UHFFFAOYSA-N
MW151.19 g/mol
LogP0.95
Rot. Bonds

About 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile

4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile (PubChem CID 89244229) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile
PubChem CID89244229
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile
SMILESN#CC1Cc2cn[nH]c2S1
InChIInChI=1S/C6H5N3S/c7-2-5-1-4-3-8-9-6(4)10-5/h3,5H,1H2,(H,8,9)
InChIKeyJSXOTUDLNAGIKS-UHFFFAOYSA-N
XLogP0.95
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methylsulfanyl-4-propyl-1H-pyrazole
CID 20784816
4,5-dihydro-1H-thieno[3,2-d]pyrazole
CID 130205926

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile?
The IUPAC name of 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile (CID 89244229) is 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile.
What is the SMILES notation for 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile?
The canonical SMILES for 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile is N#CC1Cc2cn[nH]c2S1.
What is the InChIKey of 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile?
The InChIKey is JSXOTUDLNAGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c7-2-5-1-4-3-8-9-6(4)10-5/h3,5H,1H2,(H,8,9).
What are the key properties of 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile?
4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile has a molecular weight of 151.19 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-thieno[3,2-d]pyrazole-5-carbonitrile is sourced from PubChem (CID 89244229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).