5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide

C17H14BrN5O2 — CID 122190843

IUPAC5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1c(C(=O)Nc2ccc(Br)cn2)cnn1-c1ccccc1
InChIInChI=1S/C17H14BrN5O2/c1-11(24)21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(25)22-15-8-7-12(18)9-19-15/h2-10H,1H3,(H,21,24)(H,19,22,25)
InChIKeyMBXJSMJCIBZLPC-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.24
Rot. Bonds4

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

5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 122190843) has the molecular formula C17H14BrN5O2 and a molecular weight of 400.24 g/mol. Its IUPAC name is 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
PubChem CID122190843
Molecular FormulaC17H14BrN5O2
Molecular Weight400.24 g/mol
Exact Mass399.03
IUPAC Name5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1c(C(=O)Nc2ccc(Br)cn2)cnn1-c1ccccc1
InChIInChI=1S/C17H14BrN5O2/c1-11(24)21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(25)22-15-8-7-12(18)9-19-15/h2-10H,1H3,(H,21,24)(H,19,22,25)
InChIKeyMBXJSMJCIBZLPC-UHFFFAOYSA-N
XLogP3.24
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide (CID 122190843) is 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide is CC(=O)Nc1c(C(=O)Nc2ccc(Br)cn2)cnn1-c1ccccc1.
What is the InChIKey of 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MBXJSMJCIBZLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O2/c1-11(24)21-16-14(10-20-23(16)13-5-3-2-4-6-13)17(25)22-15-8-7-12(18)9-19-15/h2-10H,1H3,(H,21,24)(H,19,22,25).
What are the key properties of 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide?
5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 400.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(5-bromo-2-pyridinyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 122190843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).