N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C12H14BrN3O — CID 103122839

IUPACN-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(CBr)N(C)C(=O)c1cnn2ccccc12
InChIInChI=1S/C12H14BrN3O/c1-9(7-13)15(2)12(17)10-8-14-16-6-4-3-5-11(10)16/h3-6,8-9H,7H2,1-2H3
InChIKeyKQDLRYWSHKVGPM-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.19
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103122839) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103122839
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(CBr)N(C)C(=O)c1cnn2ccccc12
InChIInChI=1S/C12H14BrN3O/c1-9(7-13)15(2)12(17)10-8-14-16-6-4-3-5-11(10)16/h3-6,8-9H,7H2,1-2H3
InChIKeyKQDLRYWSHKVGPM-UHFFFAOYSA-N
XLogP2.19
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103874523
2-[butan-2-yl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 103826055
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 95226525
N-(1-bromobutan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122664
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103117934
N-(2-bromo-3-methoxypropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122509
N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103721379
N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122446343
N-[(3-aminocyclobutyl)methyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123141
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103807676
N-methyl-N-[3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103117272
N-(3-aminopropyl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115836

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 103122839) is N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CC(CBr)N(C)C(=O)c1cnn2ccccc12.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KQDLRYWSHKVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-9(7-13)15(2)12(17)10-8-14-16-6-4-3-5-11(10)16/h3-6,8-9H,7H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 296.17 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103122839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).