N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide

C10H16BrN3O2 — CID 103122847

IUPACN-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
SMILESCOCCN(CCBr)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H16BrN3O2/c1-13-5-3-9(12-13)10(15)14(6-4-11)7-8-16-2/h3,5H,4,6-8H2,1-2H3
InChIKeyJLQYEYHCNCWEGW-UHFFFAOYSA-N
MW290.16 g/mol
LogP0.90
Rot. Bonds6

About N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide

N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103122847) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
PubChem CID103122847
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC NameN-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
SMILESCOCCN(CCBr)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H16BrN3O2/c1-13-5-3-9(12-13)10(15)14(6-4-11)7-8-16-2/h3,5H,4,6-8H2,1-2H3
InChIKeyJLQYEYHCNCWEGW-UHFFFAOYSA-N
XLogP0.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 107492514
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide
CID 103122845
N-(2-bromoethyl)-5-chloro-N-(2-methoxyethyl)furan-2-carboxamide
CID 106690138
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
CID 112733352
2-[(1-methylpyrazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 103116999
N-benzyl-N-(2-methoxyethyl)-2-phenyltriazole-4-carboxamide
CID 8891778
N-(2-aminoethyl)-N-(2-methoxyethyl)-1-methylimidazole-4-carboxamide
CID 107975606
N-(2-amino-2-sulfanylideneethyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 103117952
N-(3-bromobutyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103122900
2-[[1-(3-bromophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189688
N-(3-aminopropyl)-N-benzyl-1-methylpyrazole-3-carboxamide
CID 107365593

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide (CID 103122847) is N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide is COCCN(CCBr)C(=O)c1ccn(C)n1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is JLQYEYHCNCWEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-13-5-3-9(12-13)10(15)14(6-4-11)7-8-16-2/h3,5H,4,6-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide?
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 290.16 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103122847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).