3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile

C11H7N5S — CID 14202677

IUPAC3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccsc1)c1[nH]nc(N)c1C#N
InChIInChI=1S/C11H7N5S/c12-4-8(3-7-1-2-17-6-7)10-9(5-13)11(14)16-15-10/h1-3,6H,(H3,14,15,16)/b8-3+
InChIKeyVOYJGCOVGNRPQI-FPYGCLRLSA-N
MW241.28 g/mol
LogP1.99
Rot. Bonds2

About 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile (PubChem CID 14202677) has the molecular formula C11H7N5S and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile
PubChem CID14202677
Molecular FormulaC11H7N5S
Molecular Weight241.28 g/mol
Exact Mass241.04
IUPAC Name3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccsc1)c1[nH]nc(N)c1C#N
InChIInChI=1S/C11H7N5S/c12-4-8(3-7-1-2-17-6-7)10-9(5-13)11(14)16-15-10/h1-3,6H,(H3,14,15,16)/b8-3+
InChIKeyVOYJGCOVGNRPQI-FPYGCLRLSA-N
XLogP1.99
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile (CID 14202677) is 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile is N#C/C(=C\c1ccsc1)c1[nH]nc(N)c1C#N.
What is the InChIKey of 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is VOYJGCOVGNRPQI-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H7N5S/c12-4-8(3-7-1-2-17-6-7)10-9(5-13)11(14)16-15-10/h1-3,6H,(H3,14,15,16)/b8-3+.
What are the key properties of 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 241.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(Z)-1-cyano-2-thiophen-3-ylethenyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 14202677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).