N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide

C11H18BrN3O — CID 114311618

IUPACN-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)CC(CBr)NC(=O)c1ccnn1C
InChIInChI=1S/C11H18BrN3O/c1-8(2)6-9(7-12)14-11(16)10-4-5-13-15(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyIKZMWGHKHHCMDF-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.96
Rot. Bonds5

About N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide

N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 114311618) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
PubChem CID114311618
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC NameN-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)CC(CBr)NC(=O)c1ccnn1C
InChIInChI=1S/C11H18BrN3O/c1-8(2)6-9(7-12)14-11(16)10-4-5-13-15(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,16)
InChIKeyIKZMWGHKHHCMDF-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
N-(1-aminopentan-3-yl)-2-methylpyrazole-3-carboxamide
CID 62921299
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
N-(1-bromo-4-methylpentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122709
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 106154825
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 103801486

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide (CID 114311618) is N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide is CC(C)CC(CBr)NC(=O)c1ccnn1C.
What is the InChIKey of N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is IKZMWGHKHHCMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-8(2)6-9(7-12)14-11(16)10-4-5-13-15(10)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide?
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 288.19 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114311618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).