2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile

C12H8N6 — CID 169340828

IUPAC2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H8N6/c13-7-11(8-14)17-16-10-3-1-2-9(6-10)12-4-5-15-18-12/h1-6,16H,(H,15,18)
InChIKeyMTUBQDYGYRFLRV-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.89
Rot. Bonds3

About 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340828) has the molecular formula C12H8N6 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340828
Molecular FormulaC12H8N6
Molecular Weight236.24 g/mol
Exact Mass236.08
IUPAC Name2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C12H8N6/c13-7-11(8-14)17-16-10-3-1-2-9(6-10)12-4-5-15-18-12/h1-6,16H,(H,15,18)
InChIKeyMTUBQDYGYRFLRV-UHFFFAOYSA-N
XLogP1.89
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340937
2-[[3-(3,4,5-trimethoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339325
N-tert-butyl-3-(1H-pyrazol-5-yl)aniline
CID 58709859
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
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2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[3-(1H-pyrazol-5-yl)phenyl]ethanesulfonamide
CID 60748747
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738
2-phenyl-N-[3-(1H-pyrazol-5-yl)phenyl]butanamide
CID 43073756
benzene;[3-(1H-pyrazol-5-yl)anilino]methanone;yttrium
CID 162454004
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile (CID 169340828) is 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is MTUBQDYGYRFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6/c13-7-11(8-14)17-16-10-3-1-2-9(6-10)12-4-5-15-18-12/h1-6,16H,(H,15,18).
What are the key properties of 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 236.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-pyrazol-5-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).