N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide

C10H16BrN3O — CID 106130377

IUPACN-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccnn1C
InChIInChI=1S/C10H16BrN3O/c1-8(11)4-3-6-12-10(15)9-5-7-13-14(9)2/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyYFPIWEFMVQFMRF-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.71
Rot. Bonds5

About N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide

N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide (PubChem CID 106130377) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
PubChem CID106130377
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
SMILESCC(Br)CCCNC(=O)c1ccnn1C
InChIInChI=1S/C10H16BrN3O/c1-8(11)4-3-6-12-10(15)9-5-7-13-14(9)2/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyYFPIWEFMVQFMRF-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.71
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-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238
N-(4-bromopentyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 106131181

Frequently Asked Questions

What is the IUPAC name of N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide (CID 106130377) is N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide is CC(Br)CCCNC(=O)c1ccnn1C.
What is the InChIKey of N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is YFPIWEFMVQFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-8(11)4-3-6-12-10(15)9-5-7-13-14(9)2/h5,7-8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide?
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 106130377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).