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

C15H18BrN3O — CID 103122978

IUPACN-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2ccccc12)C1CCCCC1Br
InChIInChI=1S/C15H18BrN3O/c1-18(14-8-3-2-6-12(14)16)15(20)11-10-17-19-9-5-4-7-13(11)19/h4-5,7,9-10,12,14H,2-3,6,8H2,1H3
InChIKeyDSUXRKPYBNOTKI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.11
Rot. Bonds2

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

N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 103122978) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID103122978
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C(=O)c1cnn2ccccc12)C1CCCCC1Br
InChIInChI=1S/C15H18BrN3O/c1-18(14-8-3-2-6-12(14)16)15(20)11-10-17-19-9-5-4-7-13(11)19/h4-5,7,9-10,12,14H,2-3,6,8H2,1H3
InChIKeyDSUXRKPYBNOTKI-UHFFFAOYSA-N
XLogP3.11
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.11
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-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355
N-(2-hydroxycyclohexyl)-N-methylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120374
N-[(3-aminocyclobutyl)methyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123141
N-(1-bromopropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122839
N-methyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 47160097
N,N-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122446343
N-(1-hydroxypropan-2-yl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103874523
2-[cyclopropylmethyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 103790470
N-(3-aminopropyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115749
4-bromo-N-(2-bromocyclohexyl)-N,2-dimethylbenzamide
CID 102638460
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103807676
2-cyclopentyl-1-[4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 71797849

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 103122978) is N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CN(C(=O)c1cnn2ccccc12)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DSUXRKPYBNOTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-18(14-8-3-2-6-12(14)16)15(20)11-10-17-19-9-5-4-7-13(11)19/h4-5,7,9-10,12,14H,2-3,6,8H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 103122978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).