N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

C15H17N3O3 — CID 78815963

IUPACN'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N3O3/c1-21-12-7-4-11(5-8-12)6-9-14(19)17-18-15(20)13-3-2-10-16-13/h2-5,7-8,10,16H,6,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyZRTDITQXRFSMJP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.42
Rot. Bonds5

About N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78815963) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78815963
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N3O3/c1-21-12-7-4-11(5-8-12)6-9-14(19)17-18-15(20)13-3-2-10-16-13/h2-5,7-8,10,16H,6,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyZRTDITQXRFSMJP-UHFFFAOYSA-N
XLogP1.42
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.42
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

N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78829860
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893909
N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
CID 78861087
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
N'-[3-(4-methoxyphenyl)propanoyl]-3-nitrobenzohydrazide
CID 26533874
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 8968206
N-[2-(4-methoxyphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 110691003
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933
N-[2-(4-methoxyphenyl)ethyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690825
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 78815963) is N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is COc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is ZRTDITQXRFSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-12-7-4-11(5-8-12)6-9-14(19)17-18-15(20)13-3-2-10-16-13/h2-5,7-8,10,16H,6,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 287.32 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78815963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).