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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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).