4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide

C11H10BrClN4O — CID 892191

IUPAC4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H10BrClN4O/c1-2-17-10(8(12)6-15-17)11(18)16-9-4-3-7(13)5-14-9/h3-6H,2H2,1H3,(H,14,16,18)
InChIKeyUBJPYOKYPIVFQH-UHFFFAOYSA-N
MW329.59 g/mol
LogP2.97
Rot. Bonds3

About 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide

4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide (PubChem CID 892191) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide
PubChem CID892191
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC Name4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H10BrClN4O/c1-2-17-10(8(12)6-15-17)11(18)16-9-4-3-7(13)5-14-9/h3-6H,2H2,1H3,(H,14,16,18)
InChIKeyUBJPYOKYPIVFQH-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide (CID 892191) is 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is UBJPYOKYPIVFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-2-17-10(8(12)6-15-17)11(18)16-9-4-3-7(13)5-14-9/h3-6H,2H2,1H3,(H,14,16,18).
What are the key properties of 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide?
4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 329.59 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-pyridinyl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 892191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).