N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide

C12H18BrN3O — CID 106366475

IUPACN-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2CBr)n(C)n1
InChIInChI=1S/C12H18BrN3O/c1-8-6-11(16(2)15-8)12(17)14-10-5-3-4-9(10)7-13/h6,9-10H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyWODXGDQBCPCSKN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.02
Rot. Bonds3

About N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 106366475) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID106366475
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2CBr)n(C)n1
InChIInChI=1S/C12H18BrN3O/c1-8-6-11(16(2)15-8)12(17)14-10-5-3-4-9(10)7-13/h6,9-10H,3-5,7H2,1-2H3,(H,14,17)
InChIKeyWODXGDQBCPCSKN-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 106367309
N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
CID 106366597
N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
N-(2-fluorooxan-3-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 126857055
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
3-bromo-N-[2-(bromomethyl)cyclopentyl]-5-methylbenzamide
CID 106366494
5-bromo-N-[2-(bromomethyl)cyclopentyl]-2-methylbenzamide
CID 106366608
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-[2-(bromomethyl)cyclohexyl]-1-methyl-5-nitropyrrole-2-carboxamide
CID 106367377
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide (CID 106366475) is N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCC2CBr)n(C)n1.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is WODXGDQBCPCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-6-11(16(2)15-8)12(17)14-10-5-3-4-9(10)7-13/h6,9-10H,3-5,7H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 106366475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).