5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide

C12H12BrN3O2 — CID 4642865

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C12H12BrN3O2/c13-8-5-14-16(6-8)7-10-3-4-11(18-10)12(17)15-9-1-2-9/h3-6,9H,1-2,7H2,(H,15,17)
InChIKeySEFNJFGSXSMLNV-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.18
Rot. Bonds4

About 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide

5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 4642865) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID4642865
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide
SMILESO=C(NC1CC1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C12H12BrN3O2/c13-8-5-14-16(6-8)7-10-3-4-11(18-10)12(17)15-9-1-2-9/h3-6,9H,1-2,7H2,(H,15,17)
InChIKeySEFNJFGSXSMLNV-UHFFFAOYSA-N
XLogP2.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-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

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
4-bromo-1-{[5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 892503
5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(tert-butyl)-2-furamide
CID 3239894
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-4-(2-furoyl)piperazine
CID 3243739
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4104826
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]furan-2-carboxamide
CID 6873479
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 840891
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
N-[(1,3-dimethylpyrazol-4-yl)methyl](5-bromo(2-furyl))carboxamide
CID 660918
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(4-methylphenyl)-2-furamide
CID 1017772

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide (CID 4642865) is 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide is O=C(NC1CC1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is SEFNJFGSXSMLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-8-5-14-16(6-8)7-10-3-4-11(18-10)12(17)15-9-1-2-9/h3-6,9H,1-2,7H2,(H,15,17).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 4642865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).