N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide

C10H16BrN3O — CID 107321851

IUPACN-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCCCBr)cn1
InChIInChI=1S/C10H16BrN3O/c1-14-8-9(7-13-14)10(15)12-6-4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyQFKHAHCJSUTTQG-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.72
Rot. Bonds6

About N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide

N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide (PubChem CID 107321851) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
PubChem CID107321851
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCCCCBr)cn1
InChIInChI=1S/C10H16BrN3O/c1-14-8-9(7-13-14)10(15)12-6-4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyQFKHAHCJSUTTQG-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
1-methyl-N-[(E)-pent-3-enyl]pyrazole-4-carboxamide
CID 115628402
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazole-4-carboxamide
CID 115700182
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686
N-(5-bromopentyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107322076
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 115364123
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471172

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide (CID 107321851) is N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCCCCBr)cn1.
What is the InChIKey of N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is QFKHAHCJSUTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-14-8-9(7-13-14)10(15)12-6-4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide?
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107321851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).