2H-thieno[2,3-c]pyrazole-3-carbonitrile

C6H3N3S — CID 70226455

IUPAC2H-thieno[2,3-c]pyrazole-3-carbonitrile
SMILESN#Cc1[nH]nc2sccc12
InChIInChI=1S/C6H3N3S/c7-3-5-4-1-2-10-6(4)9-8-5/h1-2H,(H,8,9)
InChIKeyKTBPEBINJNXHPD-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.50
Rot. Bonds

About 2H-thieno[2,3-c]pyrazole-3-carbonitrile

2H-thieno[2,3-c]pyrazole-3-carbonitrile (PubChem CID 70226455) has the molecular formula C6H3N3S and a molecular weight of 149.18 g/mol. Its IUPAC name is 2H-thieno[2,3-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2H-thieno[2,3-c]pyrazole-3-carbonitrile
PubChem CID70226455
Molecular FormulaC6H3N3S
Molecular Weight149.18 g/mol
Exact Mass149.00
IUPAC Name2H-thieno[2,3-c]pyrazole-3-carbonitrile
SMILESN#Cc1[nH]nc2sccc12
InChIInChI=1S/C6H3N3S/c7-3-5-4-1-2-10-6(4)9-8-5/h1-2H,(H,8,9)
InChIKeyKTBPEBINJNXHPD-UHFFFAOYSA-N
XLogP1.50
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-c]pyrazole-3-carbonitrile?
The IUPAC name of 2H-thieno[2,3-c]pyrazole-3-carbonitrile (CID 70226455) is 2H-thieno[2,3-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2H-thieno[2,3-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2H-thieno[2,3-c]pyrazole-3-carbonitrile is N#Cc1[nH]nc2sccc12.
What is the InChIKey of 2H-thieno[2,3-c]pyrazole-3-carbonitrile?
The InChIKey is KTBPEBINJNXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3S/c7-3-5-4-1-2-10-6(4)9-8-5/h1-2H,(H,8,9).
What are the key properties of 2H-thieno[2,3-c]pyrazole-3-carbonitrile?
2H-thieno[2,3-c]pyrazole-3-carbonitrile has a molecular weight of 149.18 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 70226455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).