5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide

C14H18BrN3O2 — CID 95280433

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](C)NC(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C14H18BrN3O2/c1-9(2)10(3)17-14(19)13-5-4-12(20-13)8-18-7-11(15)6-16-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyMJQWQRJULJOEJT-JTQLQIEISA-N
MW340.22 g/mol
LogP3.06
Rot. Bonds5

About 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide

5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide (PubChem CID 95280433) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
PubChem CID95280433
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](C)NC(=O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C14H18BrN3O2/c1-9(2)10(3)17-14(19)13-5-4-12(20-13)8-18-7-11(15)6-16-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1
InChIKeyMJQWQRJULJOEJT-JTQLQIEISA-N
XLogP3.06
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]furan-2-carboxamide
CID 86961074
(4-methylphenyl) 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876046
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
N-[[5-[(4-bromopyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62441140
5-[(4-bromopyrazol-1-yl)methyl]-N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 45153888
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide
CID 86876078
(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876049

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide (CID 95280433) is 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide is CC(C)[C@H](C)NC(=O)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?
The InChIKey is MJQWQRJULJOEJT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-9(2)10(3)17-14(19)13-5-4-12(20-13)8-18-7-11(15)6-16-18/h4-7,9-10H,8H2,1-3H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 3.06, 5 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-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 95280433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).