N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide

C14H22BrN3O — CID 102872261

IUPACN-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C14H22BrN3O/c1-3-13-12(10-17(2)16-13)14(19)18(9-5-8-15)11-6-4-7-11/h10-11H,3-9H2,1-2H3
InChIKeyJBVROSQIQIJLMT-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.76
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide

N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 102872261) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID102872261
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)N(CCCBr)C1CCC1
InChIInChI=1S/C14H22BrN3O/c1-3-13-12(10-17(2)16-13)14(19)18(9-5-8-15)11-6-4-7-11/h10-11H,3-9H2,1-2H3
InChIKeyJBVROSQIQIJLMT-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.76
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-(3-aminopropyl)-N-cyclopentyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809889
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893889
N-cyclopropyl-3-ethyl-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 102811034
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102684082
N-(4-aminocyclohexyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102809870
N-(3-bromopropyl)-N-cyclobutylpyrimidine-5-carboxamide
CID 102922878
N-(2-aminoethyl)-N,3-diethyl-1-methylpyrazole-4-carboxamide
CID 102809911
N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
CID 102872187
N-(3-bromopropyl)-N-cyclobutylpropanamide
CID 102872394
N-(3-bromopropyl)-N-cyclobutyl-2-methyl-3-nitrobenzamide
CID 102872460

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide (CID 102872261) is N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is JBVROSQIQIJLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-13-12(10-17(2)16-13)14(19)18(9-5-8-15)11-6-4-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102872261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).