4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide

C11H11BrN4O2S — CID 2743626

IUPAC4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide
SMILESCc1c(Br)c(C(=O)NNC(=O)c2cccs2)nn1C
InChIInChI=1S/C11H11BrN4O2S/c1-6-8(12)9(15-16(6)2)11(18)14-13-10(17)7-4-3-5-19-7/h3-5H,1-2H3,(H,13,17)(H,14,18)
InChIKeyQKGLJWGZSXNREZ-UHFFFAOYSA-N
MW343.21 g/mol
LogP1.63
Rot. Bonds2

About 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide

4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide (PubChem CID 2743626) has the molecular formula C11H11BrN4O2S and a molecular weight of 343.21 g/mol. Its IUPAC name is 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide
PubChem CID2743626
Molecular FormulaC11H11BrN4O2S
Molecular Weight343.21 g/mol
Exact Mass341.98
IUPAC Name4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide
SMILESCc1c(Br)c(C(=O)NNC(=O)c2cccs2)nn1C
InChIInChI=1S/C11H11BrN4O2S/c1-6-8(12)9(15-16(6)2)11(18)14-13-10(17)7-4-3-5-19-7/h3-5H,1-2H3,(H,13,17)(H,14,18)
InChIKeyQKGLJWGZSXNREZ-UHFFFAOYSA-N
XLogP1.63
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 51.63
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

1,5-dimethyl-N-(2-thienylmethyl)-1H-pyrazole-3-carboxamide
CID 2738497
N'-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}thiophene-2-carbohydrazide
CID 2809443
N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]-2-thiophenecarbohydrazide
CID 3830565
4-bromo-1-methyl-N-(2-thienylmethyl)-1H-pyrazole-5-carboxamide
CID 1236038
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(1E)-1-(thiophen-2-yl)ethylidene]acetohydrazide
CID 9622574
(4-Bromo-3,5-dimethylpyrazol-1-yl)-thiophen-2-ylmethanone
CID 831999
4-bromo-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 5154110
4-bromo-N'-[1-(5-bromo-2-thienyl)propylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 5434399
4-bromo-2-methyl-N-(thiophen-2-ylmethyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 4772140
N'~3~-[(5-Fluoro-2-thienyl)methylene]-1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 119055644
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2,5-dimethylpyrazole-3-carboxamide
CID 119055648
N'~3~-[(5-Fluoro-2-thienyl)methylene]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 119055703

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
The IUPAC name of 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide (CID 2743626) is 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
The canonical SMILES for 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide is Cc1c(Br)c(C(=O)NNC(=O)c2cccs2)nn1C.
What is the InChIKey of 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
The InChIKey is QKGLJWGZSXNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S/c1-6-8(12)9(15-16(6)2)11(18)14-13-10(17)7-4-3-5-19-7/h3-5H,1-2H3,(H,13,17)(H,14,18).
What are the key properties of 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide?
4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide has a molecular weight of 343.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,5-dimethyl-N'-(thiophene-2-carbonyl)pyrazole-3-carbohydrazide is sourced from PubChem (CID 2743626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).