4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide

C14H18BrN5O2 — CID 51290106

IUPAC4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1nn(C)c(C)c1CCC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H18BrN5O2/c1-8-11(9(2)20(3)19-8)4-5-13(21)17-18-14(22)12-6-10(15)7-16-12/h6-7,16H,4-5H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyASSZJLIQCSJFDL-UHFFFAOYSA-N
MW368.24 g/mol
LogP1.52
Rot. Bonds4

About 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 51290106) has the molecular formula C14H18BrN5O2 and a molecular weight of 368.24 g/mol. Its IUPAC name is 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID51290106
Molecular FormulaC14H18BrN5O2
Molecular Weight368.24 g/mol
Exact Mass367.06
IUPAC Name4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCc1nn(C)c(C)c1CCC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H18BrN5O2/c1-8-11(9(2)20(3)19-8)4-5-13(21)17-18-14(22)12-6-10(15)7-16-12/h6-7,16H,4-5H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyASSZJLIQCSJFDL-UHFFFAOYSA-N
XLogP1.52
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 51.52
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

4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 47116225
4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 18121265
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 103895626
4-bromo-N'-(3-cyclopentylpropanoyl)-1H-pyrrole-2-carbohydrazide
CID 40716111
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
4-bromo-N'-[4-(3-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256254
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
tert-butyl N-[4-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-4-oxobutyl]carbamate
CID 9256746
5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
N-[3-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-3-oxopropyl]-2-phenylacetamide
CID 33472385

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 51290106) is 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide is Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is ASSZJLIQCSJFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O2/c1-8-11(9(2)20(3)19-8)4-5-13(21)17-18-14(22)12-6-10(15)7-16-12/h6-7,16H,4-5H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 368.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 51290106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).