N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide

C14H14N4O — CID 42600457

IUPACN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide
SMILESCCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C14H14N4O/c1-2-13(19)17-18-14-11(9-15)8-12(16-14)10-6-4-3-5-7-10/h3-8,16,18H,2H2,1H3,(H,17,19)
InChIKeyXVKVYVVIWSTGQB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.41
Rot. Bonds4

About N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide

N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide (PubChem CID 42600457) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide.

Molecular Properties

Compound NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide
PubChem CID42600457
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide
SMILESCCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N
InChIInChI=1S/C14H14N4O/c1-2-13(19)17-18-14-11(9-15)8-12(16-14)10-6-4-3-5-7-10/h3-8,16,18H,2H2,1H3,(H,17,19)
InChIKeyXVKVYVVIWSTGQB-UHFFFAOYSA-N
XLogP2.41
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(3-cyano-5-phenyl-1H-pyrrol-2-yl)amino]carbamate
CID 42597306
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)acetohydrazide
CID 42600456
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-2-methoxyacetohydrazide
CID 42600460
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)-3-methoxypropanehydrazide
CID 42600461
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 139224363
N'-[6-phenyl-4-(trifluoromethyl)-2-pyridinyl]propanehydrazide
CID 139224364
N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-methylpropanehydrazide
CID 10588213
N'-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-2-phenylacetohydrazide
CID 10591765
2,3-Diphenyl-4-cyano-5-phenylhydrazino pyrrole
CID 85622888
2,3-Diphenyl-4-cyano-5-phenyl-hydrazino pyrrole
CID 129824327
2-(3-cyano-4,6-dimethylpyridin-2-yl)-N-phenylhydrazinecarboxamide
CID 729318
2-amino-5-phenyl-1H-pyrrole-3-carbonitrile
CID 10176399

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide?
The IUPAC name of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide (CID 42600457) is N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide.
What is the SMILES notation for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide?
The canonical SMILES for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide is CCC(=O)NNc1[nH]c(-c2ccccc2)cc1C#N.
What is the InChIKey of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide?
The InChIKey is XVKVYVVIWSTGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-13(19)17-18-14-11(9-15)8-12(16-14)10-6-4-3-5-7-10/h3-8,16,18H,2H2,1H3,(H,17,19).
What are the key properties of N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide?
N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide has a molecular weight of 254.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-5-phenyl-1H-pyrrol-2-yl)propanehydrazide is sourced from PubChem (CID 42600457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).