5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide

C10H16BrN3O — CID 107909826

IUPAC5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
SMILESCn1cc(CNC(=O)CCCCBr)cn1
InChIInChI=1S/C10H16BrN3O/c1-14-8-9(7-13-14)6-12-10(15)4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyNVYZDLSVEAUYSV-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.60
Rot. Bonds6

About 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide

5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide (PubChem CID 107909826) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
PubChem CID107909826
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
SMILESCn1cc(CNC(=O)CCCCBr)cn1
InChIInChI=1S/C10H16BrN3O/c1-14-8-9(7-13-14)6-12-10(15)4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyNVYZDLSVEAUYSV-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
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

7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
CID 119750177
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61350617
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19544017
2-(4-carbamothioylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 63611673
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide (CID 107909826) is 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide is Cn1cc(CNC(=O)CCCCBr)cn1.
What is the InChIKey of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is NVYZDLSVEAUYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-14-8-9(7-13-14)6-12-10(15)4-2-3-5-11/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide?
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 274.16 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 107909826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).