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

C14H14N4O2 — CID 42597067

IUPACN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide
SMILESCOc1ccc(-c2cc(C#N)c(NNC(C)=O)[nH]2)cc1
InChIInChI=1S/C14H14N4O2/c1-9(19)17-18-14-11(8-15)7-13(16-14)10-3-5-12(20-2)6-4-10/h3-7,16,18H,1-2H3,(H,17,19)
InChIKeyKMRULRZSXILYBB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.02
Rot. Bonds4

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

N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide (PubChem CID 42597067) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide
PubChem CID42597067
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide
SMILESCOc1ccc(-c2cc(C#N)c(NNC(C)=O)[nH]2)cc1
InChIInChI=1S/C14H14N4O2/c1-9(19)17-18-14-11(8-15)7-13(16-14)10-3-5-12(20-2)6-4-10/h3-7,16,18H,1-2H3,(H,17,19)
InChIKeyKMRULRZSXILYBB-UHFFFAOYSA-N
XLogP2.02
TPSA89.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.02
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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Related Compounds

N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methoxyacetohydrazide
CID 42597307
ethyl N-[[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]amino]carbamate
CID 42600459
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]propanehydrazide
CID 42597068
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-3-methoxypropanehydrazide
CID 42597308
methyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 42597309
methyl 5-(4-methoxyphenyl)-2-(2-propanoylhydrazinyl)-1H-pyrrole-3-carboxylate
CID 42597310
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]-2-methylpropanehydrazide
CID 42600458
6-(3-Fluoro-4-methoxyphenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252655
2-amino-5-(3-fluoro-4-methoxyphenyl)-1H-pyrrole-3-carbonitrile
CID 82289058
2-amino-5-(4-ethoxy-3-fluorophenyl)-1H-pyrrole-3-carbonitrile
CID 82294604
2-amino-5-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 82300998
2-amino-6-(3-fluoro-4-methoxyphenyl)-4-(5-methyl-1H-pyrrol-2-yl)nicotinonitrile
CID 168064412

Frequently Asked Questions

What is the IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide?
The IUPAC name of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide (CID 42597067) is N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide.
What is the SMILES notation for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide?
The canonical SMILES for N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide is COc1ccc(-c2cc(C#N)c(NNC(C)=O)[nH]2)cc1.
What is the InChIKey of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide?
The InChIKey is KMRULRZSXILYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9(19)17-18-14-11(8-15)7-13(16-14)10-3-5-12(20-2)6-4-10/h3-7,16,18H,1-2H3,(H,17,19).
What are the key properties of N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide?
N'-[3-cyano-5-(4-methoxyphenyl)-1H-pyrrol-2-yl]acetohydrazide has a molecular weight of 270.29 g/mol, XLogP of 2.02, 4 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]acetohydrazide is sourced from PubChem (CID 42597067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).