3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile

C15H10N6 — CID 135402851

IUPAC3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile
SMILESN#C/C(=C\c1c[nH]c2ccccc12)c1[nH]nc(N)c1C#N
InChIInChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+
InChIKeyOJMXHLJIMZMFGX-WEVVVXLNSA-N
MW274.29 g/mol
LogP2.41
Rot. Bonds2

About 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile (PubChem CID 135402851) has the molecular formula C15H10N6 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile
PubChem CID135402851
Molecular FormulaC15H10N6
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile
SMILESN#C/C(=C\c1c[nH]c2ccccc12)c1[nH]nc(N)c1C#N
InChIInChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+
InChIKeyOJMXHLJIMZMFGX-WEVVVXLNSA-N
XLogP2.41
TPSA118.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile (CID 135402851) is 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile is N#C/C(=C\c1c[nH]c2ccccc12)c1[nH]nc(N)c1C#N.
What is the InChIKey of 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is OJMXHLJIMZMFGX-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+.
What are the key properties of 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 274.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(Z)-1-cyano-2-(1H-indol-3-yl)ethenyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 135402851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).