N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide

C15H16N4O2 — CID 42597068

IUPACN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide
SMILESCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C15H16N4O2/c1-3-14(20)18-19-15-11(9-16)8-13(17-15)10-4-6-12(21-2)7-5-10/h4-8,17,19H,3H2,1-2H3,(H,18,20)
InChIKeyCUUIYMDOMMUVAG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.42
Rot. Bonds5

About N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide

N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide (PubChem CID 42597068) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide.

Molecular Properties

Compound NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide
PubChem CID42597068
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide
SMILESCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C15H16N4O2/c1-3-14(20)18-19-15-11(9-16)8-13(17-15)10-4-6-12(21-2)7-5-10/h4-8,17,19H,3H2,1-2H3,(H,18,20)
InChIKeyCUUIYMDOMMUVAG-UHFFFAOYSA-N
XLogP2.42
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide?
The IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide (CID 42597068) is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide.
What is the SMILES notation for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide?
The canonical SMILES for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide is CCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N.
What is the InChIKey of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide?
The InChIKey is CUUIYMDOMMUVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-14(20)18-19-15-11(9-16)8-13(17-15)10-4-6-12(21-2)7-5-10/h4-8,17,19H,3H2,1-2H3,(H,18,20).
What are the key properties of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide?
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide has a molecular weight of 284.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide is sourced from PubChem (CID 42597068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).