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

C11H11BrN4O — CID 19577927

IUPACN-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Br)cn2)cn1
InChIInChI=1S/C11H11BrN4O/c1-2-16-7-8(5-14-16)11(17)15-10-4-3-9(12)6-13-10/h3-7H,2H2,1H3,(H,13,15,17)
InChIKeyZNKVPKLUGFLWBP-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.31
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 19577927) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide
PubChem CID19577927
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(Br)cn2)cn1
InChIInChI=1S/C11H11BrN4O/c1-2-16-7-8(5-14-16)11(17)15-10-4-3-9(12)6-13-10/h3-7H,2H2,1H3,(H,13,15,17)
InChIKeyZNKVPKLUGFLWBP-UHFFFAOYSA-N
XLogP2.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide (CID 19577927) is N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(Br)cn2)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is ZNKVPKLUGFLWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-2-16-7-8(5-14-16)11(17)15-10-4-3-9(12)6-13-10/h3-7H,2H2,1H3,(H,13,15,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 19577927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).