N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide

C10H9BrN4O2S — CID 9154765

IUPACN'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C10H9BrN4O2S/c1-15-5-6(4-12-15)9(16)13-14-10(17)7-2-3-8(11)18-7/h2-5H,1H3,(H,13,16)(H,14,17)
InChIKeyFHFNDIHPBKLITM-UHFFFAOYSA-N
MW329.18 g/mol
LogP1.32
Rot. Bonds2

About N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide (PubChem CID 9154765) has the molecular formula C10H9BrN4O2S and a molecular weight of 329.18 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide
PubChem CID9154765
Molecular FormulaC10H9BrN4O2S
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)c2ccc(Br)s2)cn1
InChIInChI=1S/C10H9BrN4O2S/c1-15-5-6(4-12-15)9(16)13-14-10(17)7-2-3-8(11)18-7/h2-5H,1H3,(H,13,16)(H,14,17)
InChIKeyFHFNDIHPBKLITM-UHFFFAOYSA-N
XLogP1.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697
N'-(5-bromothiophene-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 31729518
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
1-methyl-N'-(4-nitrobenzoyl)pyrazole-4-carbohydrazide
CID 9036481
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
CID 30497119
5-bromo-N'-[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]thiophene-2-carbohydrazide
CID 55789132
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
N'-[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1-methylpyrazole-4-carbohydrazide
CID 9426782
1-methylpyrazole-4-carboxylate
CID 6979031
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 167858795

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide (CID 9154765) is N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide is Cn1cc(C(=O)NNC(=O)c2ccc(Br)s2)cn1.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide?
The InChIKey is FHFNDIHPBKLITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2S/c1-15-5-6(4-12-15)9(16)13-14-10(17)7-2-3-8(11)18-7/h2-5H,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide has a molecular weight of 329.18 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-1-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 9154765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).