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

C10H8BrClN4O — CID 3238087

IUPAC4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H8BrClN4O/c1-16-9(7(11)5-14-16)10(17)15-8-3-2-6(12)4-13-8/h2-5H,1H3,(H,13,15,17)
InChIKeyQGVGBXURBBKXDA-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.48
Rot. Bonds2

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

4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide (PubChem CID 3238087) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
PubChem CID3238087
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H8BrClN4O/c1-16-9(7(11)5-14-16)10(17)15-8-3-2-6(12)4-13-8/h2-5H,1H3,(H,13,15,17)
InChIKeyQGVGBXURBBKXDA-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 52.48
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-methylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide (CID 3238087) is 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is QGVGBXURBBKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c1-16-9(7(11)5-14-16)10(17)15-8-3-2-6(12)4-13-8/h2-5H,1H3,(H,13,15,17).
What are the key properties of 4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
4-bromo-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 315.56 g/mol, XLogP of 2.48, 2 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-methylpyrazole-5-carboxamide is sourced from PubChem (CID 3238087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).