1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile

C13H11Cl2N5 — CID 70434517

IUPAC1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile
SMILESCCC=NNc1c(C#N)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N5/c1-2-5-17-19-13-9(7-16)8-18-20(13)12-4-3-10(14)6-11(12)15/h3-6,8,19H,2H2,1H3
InChIKeyFQIPJZNERWQKIN-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.86
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile

1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile (PubChem CID 70434517) has the molecular formula C13H11Cl2N5 and a molecular weight of 308.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile
PubChem CID70434517
Molecular FormulaC13H11Cl2N5
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile
SMILESCCC=NNc1c(C#N)cnn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N5/c1-2-5-17-19-13-9(7-16)8-18-20(13)12-4-3-10(14)6-11(12)15/h3-6,8,19H,2H2,1H3
InChIKeyFQIPJZNERWQKIN-UHFFFAOYSA-N
XLogP3.86
TPSA66.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile (CID 70434517) is 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile is CCC=NNc1c(C#N)cnn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile?
The InChIKey is FQIPJZNERWQKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5/c1-2-5-17-19-13-9(7-16)8-18-20(13)12-4-3-10(14)6-11(12)15/h3-6,8,19H,2H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile?
1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile has a molecular weight of 308.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-(2-propylidenehydrazinyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 70434517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).