N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide

C9H14BrN3O — CID 80664990

IUPACN-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCC(Br)CN(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C9H14BrN3O/c1-7(10)5-12(2)9(14)8-4-11-13(3)6-8/h4,6-7H,5H2,1-3H3
InChIKeyAWWVSMFSCKEJDI-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.28
Rot. Bonds3

About N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide

N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 80664990) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID80664990
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC NameN-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCC(Br)CN(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C9H14BrN3O/c1-7(10)5-12(2)9(14)8-4-11-13(3)6-8/h4,6-7H,5H2,1-3H3
InChIKeyAWWVSMFSCKEJDI-UHFFFAOYSA-N
XLogP1.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
3-[methyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 60989525
N-(2-bromopropyl)-N,5-dimethylpyridine-3-carboxamide
CID 80665693
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 63225000
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-4-carboxamide
CID 39969648
N-[[4-(difluoromethylsulfanyl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 49225172
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide (CID 80664990) is N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide is CC(Br)CN(C)C(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is AWWVSMFSCKEJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-7(10)5-12(2)9(14)8-4-11-13(3)6-8/h4,6-7H,5H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide?
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 260.13 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 80664990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).