N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide

C10H16BrN3O — CID 103122894

IUPACN-(3-bromopentyl)-1-methylpyrazole-3-carboxamide
SMILESCCC(Br)CCNC(=O)c1ccn(C)n1
InChIInChI=1S/C10H16BrN3O/c1-3-8(11)4-6-12-10(15)9-5-7-14(2)13-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyLRPGTYZXYQEQBY-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.71
Rot. Bonds5

About N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide

N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103122894) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopentyl)-1-methylpyrazole-3-carboxamide
PubChem CID103122894
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-(3-bromopentyl)-1-methylpyrazole-3-carboxamide
SMILESCCC(Br)CCNC(=O)c1ccn(C)n1
InChIInChI=1S/C10H16BrN3O/c1-3-8(11)4-6-12-10(15)9-5-7-14(2)13-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyLRPGTYZXYQEQBY-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromopentyl)-1-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-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
CID 103123157
N-(2-cyanoethyl)-1-methylpyrazole-3-carboxamide
CID 103117795
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-1-methylpyrazole-3-carboxamide
CID 103121464
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 103800655
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-(1-bromo-4-methylpentan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122709

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide (CID 103122894) is N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide is CCC(Br)CCNC(=O)c1ccn(C)n1.
What is the InChIKey of N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is LRPGTYZXYQEQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-3-8(11)4-6-12-10(15)9-5-7-14(2)13-9/h5,7-8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide?
N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 274.16 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopentyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103122894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).