1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile

C8H8N4O — CID 89346339

IUPAC1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile
SMILESC/C=C\Nc1c(C#N)cnn1C=O
InChIInChI=1S/C8H8N4O/c1-2-3-10-8-7(4-9)5-11-12(8)6-13/h2-3,5-6,10H,1H3/b3-2-
InChIKeyZLRQMPDXOUYHSV-IHWYPQMZSA-N
MW176.18 g/mol
LogP0.74
Rot. Bonds3

About 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile

1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile (PubChem CID 89346339) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile
PubChem CID89346339
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile
SMILESC/C=C\Nc1c(C#N)cnn1C=O
InChIInChI=1S/C8H8N4O/c1-2-3-10-8-7(4-9)5-11-12(8)6-13/h2-3,5-6,10H,1H3/b3-2-
InChIKeyZLRQMPDXOUYHSV-IHWYPQMZSA-N
XLogP0.74
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile?
The IUPAC name of 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile (CID 89346339) is 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile is C/C=C\Nc1c(C#N)cnn1C=O.
What is the InChIKey of 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile?
The InChIKey is ZLRQMPDXOUYHSV-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H8N4O/c1-2-3-10-8-7(4-9)5-11-12(8)6-13/h2-3,5-6,10H,1H3/b3-2-.
What are the key properties of 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile?
1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile has a molecular weight of 176.18 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-5-[[(Z)-prop-1-enyl]amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 89346339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).