N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide

C12H12BrN3O — CID 6466747

IUPACN-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrN3O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(13)8-10/h3-8H,2H2,1H3,(H,14,17)
InChIKeyGHFXQCIFAJYRHS-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.92
Rot. Bonds3

About N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide

N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 6466747) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID6466747
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC NameN-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrN3O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(13)8-10/h3-8H,2H2,1H3,(H,14,17)
InChIKeyGHFXQCIFAJYRHS-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-1-ethylpyrazole-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-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151
N-(6-bromo-1,3-benzothiazol-2-yl)-1-ethylpyrazole-3-carboxamide
CID 17168187
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264689
N-(3-bromophenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19580041
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
N-[3-[(1-ethylpyrazole-4-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19281171
N-(3-bromophenyl)-5-[butyl(methyl)amino]pyridine-2-carboxamide
CID 109196108
N,1-diethylpyrazole-3-carboxamide
CID 19262384
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide (CID 6466747) is N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2cccc(Br)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is GHFXQCIFAJYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c1-2-16-7-6-11(15-16)12(17)14-10-5-3-4-9(13)8-10/h3-8H,2H2,1H3,(H,14,17).
What are the key properties of N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide?
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 6466747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).