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

C15H17N3O2 — CID 78829860

IUPACN'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-4-6-12(7-5-11)8-9-14(19)17-18-15(20)13-3-2-10-16-13/h2-7,10,16H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeySCEMOSAHNIBLRC-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.72
Rot. Bonds4

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

N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78829860) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78829860
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-4-6-12(7-5-11)8-9-14(19)17-18-15(20)13-3-2-10-16-13/h2-7,10,16H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeySCEMOSAHNIBLRC-UHFFFAOYSA-N
XLogP1.72
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
2-hydroxy-N'-[3-(4-methylphenyl)propanoyl]benzohydrazide
CID 31950720
N'-[4-(2-phenylethoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 78893909
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 8968206
N'-(3-propan-2-yloxypropanoyl)-1H-pyrrole-2-carbohydrazide
CID 78861087
3-(4-methylphenyl)-1-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110809590
N-[4-oxo-4-[2-(1H-pyrrole-2-carbonyl)hydrazinyl]butyl]benzamide
CID 78814112
N'-[3-(4-methoxyphenyl)propanoyl]-4-methylbenzohydrazide
CID 2672366
N'-[2-[(3-methylphenyl)methylsulfanyl]acetyl]-1H-pyrrole-2-carbohydrazide
CID 78816216
5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
CID 31950441
N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78818180
N'-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 78814266

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 78829860) is N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is Cc1ccc(CCC(=O)NNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is SCEMOSAHNIBLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-4-6-12(7-5-11)8-9-14(19)17-18-15(20)13-3-2-10-16-13/h2-7,10,16H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 271.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78829860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).