5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide

C13H15BrN4O — CID 107909063

IUPAC5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
SMILESO=C(CCCCBr)Nc1cccnc1-n1cccn1
InChIInChI=1S/C13H15BrN4O/c14-7-2-1-6-12(19)17-11-5-3-8-15-13(11)18-10-4-9-16-18/h3-5,8-10H,1-2,6-7H2,(H,17,19)
InChIKeyDIIUNTNEGGQQCF-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.77
Rot. Bonds6

About 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide

5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide (PubChem CID 107909063) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
PubChem CID107909063
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
SMILESO=C(CCCCBr)Nc1cccnc1-n1cccn1
InChIInChI=1S/C13H15BrN4O/c14-7-2-1-6-12(19)17-11-5-3-8-15-13(11)18-10-4-9-16-18/h3-5,8-10H,1-2,6-7H2,(H,17,19)
InChIKeyDIIUNTNEGGQQCF-UHFFFAOYSA-N
XLogP2.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
4-(2-ethoxyphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30884899
4-(2-methylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 30887020
5-(2,5-dimethylphenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 60584957
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
3-(4-bromophenyl)sulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 60567720
N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
CID 30885035
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
2-(cyclopropylamino)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60842702
3-(2,3-dichlorophenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 60553304
2-(4-chlorophenoxy)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30884754

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The IUPAC name of 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide (CID 107909063) is 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The canonical SMILES for 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide is O=C(CCCCBr)Nc1cccnc1-n1cccn1.
What is the InChIKey of 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The InChIKey is DIIUNTNEGGQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-7-2-1-6-12(19)17-11-5-3-8-15-13(11)18-10-4-9-16-18/h3-5,8-10H,1-2,6-7H2,(H,17,19).
What are the key properties of 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide has a molecular weight of 323.19 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide is sourced from PubChem (CID 107909063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).