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

C10H14BrN3O2 — CID 18121265

IUPAC4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H14BrN3O2/c1-6(2)3-9(15)13-14-10(16)8-4-7(11)5-12-8/h4-6,12H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyRPCNXGMCFAVJEQ-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.58
Rot. Bonds3

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

4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 18121265) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID18121265
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H14BrN3O2/c1-6(2)3-9(15)13-14-10(16)8-4-7(11)5-12-8/h4-6,12H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyRPCNXGMCFAVJEQ-UHFFFAOYSA-N
XLogP1.58
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.58
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-methoxy-1H-pyrrole-2-carboxamide
CID 103608505
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 31598614
4-bromo-N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9255783
4-bromo-N'-[3-(2,3-dimethoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256838
4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31597699
4-bromo-N'-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256237
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide
CID 40716111
N-[1-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 55406031
tert-butyl N-[4-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 9256746
4-bromo-N'-[2-(2-chlorophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 31421529
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide (CID 18121265) is 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide is CC(C)CC(=O)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is RPCNXGMCFAVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-6(2)3-9(15)13-14-10(16)8-4-7(11)5-12-8/h4-6,12H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 288.14 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 18121265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).