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

C15H16N4O3 — CID 42597307

IUPACN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide
SMILESCOCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C15H16N4O3/c1-21-9-14(20)18-19-15-11(8-16)7-13(17-15)10-3-5-12(22-2)6-4-10/h3-7,17,19H,9H2,1-2H3,(H,18,20)
InChIKeyJHLYAQGDYJZMQP-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.65
Rot. Bonds6

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

N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide (PubChem CID 42597307) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide.

Molecular Properties

Compound NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide
PubChem CID42597307
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide
SMILESCOCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N
InChIInChI=1S/C15H16N4O3/c1-21-9-14(20)18-19-15-11(8-16)7-13(17-15)10-3-5-12(22-2)6-4-10/h3-7,17,19H,9H2,1-2H3,(H,18,20)
InChIKeyJHLYAQGDYJZMQP-UHFFFAOYSA-N
XLogP1.65
TPSA99.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]-2-methoxyacetohydrazide?
The IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide (CID 42597307) is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide.
What is the SMILES notation for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide?
The canonical SMILES for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide is COCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C#N.
What is the InChIKey of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide?
The InChIKey is JHLYAQGDYJZMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-21-9-14(20)18-19-15-11(8-16)7-13(17-15)10-3-5-12(22-2)6-4-10/h3-7,17,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide?
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide has a molecular weight of 300.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide is sourced from PubChem (CID 42597307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).