N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide

C11H18BrN3O — CID 107206235

IUPACN-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)CCCCCBr
InChIInChI=1S/C11H18BrN3O/c1-9-10(8-13-14-9)11(16)15(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyNECREXMKOYUPJW-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.36
Rot. Bonds6

About N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide

N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 107206235) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID107206235
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC NameN-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)CCCCCBr
InChIInChI=1S/C11H18BrN3O/c1-9-10(8-13-14-9)11(16)15(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyNECREXMKOYUPJW-UHFFFAOYSA-N
XLogP2.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206762
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 62735140
5-bromo-N-(5-bromopentyl)-N,2-dimethylbenzamide
CID 107206197
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
5-amino-N-butyl-N-methyl-1H-pyrazole-4-carboxamide
CID 43159518
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(5-bromopentyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732751
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
N-(5-bromopentyl)-3-chloro-2-fluoro-N-methylbenzamide
CID 107206107

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide (CID 107206235) is N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(C)CCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is NECREXMKOYUPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9-10(8-13-14-9)11(16)15(2)7-5-3-4-6-12/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107206235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).