4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide

C13H18BrN3O2 — CID 40716111

IUPAC4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H18BrN3O2/c14-10-7-11(15-8-10)13(19)17-16-12(18)6-5-9-3-1-2-4-9/h7-9,15H,1-6H2,(H,16,18)(H,17,19)
InChIKeyIMCIJSXOIFYDRN-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.51
Rot. Bonds4

About 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide

4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 40716111) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID40716111
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C13H18BrN3O2/c14-10-7-11(15-8-10)13(19)17-16-12(18)6-5-9-3-1-2-4-9/h7-9,15H,1-6H2,(H,16,18)(H,17,19)
InChIKeyIMCIJSXOIFYDRN-UHFFFAOYSA-N
XLogP2.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.51
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

4-bromo-N-(3-cyclopropylpropyl)-1H-pyrrole-2-carboxamide
CID 115637079
tert-butyl N-[4-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 9256746
4-bromo-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64913420
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 115600313
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
N'-(3-cyclohexylpropanoyl)pyrazine-2-carbohydrazide
CID 754531
4-bromo-N'-[4-(3-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256254
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 31598614
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
4-bromo-N-[3-(cyclopropylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43596530
N-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
CID 9256165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide (CID 40716111) is 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide is O=C(CCC1CCCC1)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is IMCIJSXOIFYDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c14-10-7-11(15-8-10)13(19)17-16-12(18)6-5-9-3-1-2-4-9/h7-9,15H,1-6H2,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 328.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 40716111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).