N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide

C9H14BrN3O — CID 130485661

IUPACN-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CBr)nn1C
InChIInChI=1S/C9H14BrN3O/c1-6(5-10)11-9(14)8-4-7(2)13(3)12-8/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyLOXFEGHKLUQXHU-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.24
Rot. Bonds3

About N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide

N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 130485661) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID130485661
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC NameN-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)CBr)nn1C
InChIInChI=1S/C9H14BrN3O/c1-6(5-10)11-9(14)8-4-7(2)13(3)12-8/h4,6H,5H2,1-3H3,(H,11,14)
InChIKeyLOXFEGHKLUQXHU-UHFFFAOYSA-N
XLogP1.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,5-dimethylpyrazol-3-yl)-3-methylbutan-1-one
CID 126974372
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219015
N-(2-methoxyethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279762
N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 119615000
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
N-carbamoyl-1,5-dimethylpyrazole-3-carboxamide
CID 130485672
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
N-(1-bromopropan-2-yl)-3,5-dimethylbenzamide
CID 114310754

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide (CID 130485661) is N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)CBr)nn1C.
What is the InChIKey of N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is LOXFEGHKLUQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-6(5-10)11-9(14)8-4-7(2)13(3)12-8/h4,6H,5H2,1-3H3,(H,11,14).
What are the key properties of N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide?
N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 130485661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).