5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid

C9H7BrN2O3 — CID 914237

IUPAC5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C9H7BrN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyMWZJSLYKHKNNFV-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.99
Rot. Bonds3

About 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid

5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 914237) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID914237
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C9H7BrN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14)
InChIKeyMWZJSLYKHKNNFV-UHFFFAOYSA-N
XLogP1.99
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-((4-chloro-1H-pyrazol-1-yl)methyl)furan-2-carboxylate
CID 914296
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoic acid
CID 658387
5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid
CID 777837
4-bromo-1-{[5-(1H-pyrazol-1-ylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 892503
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-bromo-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 840891
5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 580504
4-bromo-1-{5-[(4-fluorophenoxy)methyl]-2-furoyl}-1H-pyrazole
CID 1222676
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-cyclohexyl-2-furamide
CID 3244142
5-(5-Methyl-3-trifluoromethyl-pyrazol-1-ylmethyl)-furan-2-carboxylic acid
CID 921662
5-((4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-2-furancarboxylic acid
CID 736773
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-cyclopropyl-2-furamide
CID 4642865

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid (CID 914237) is 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is MWZJSLYKHKNNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-6-3-11-12(4-6)5-7-1-2-8(15-7)9(13)14/h1-4H,5H2,(H,13,14).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid?
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 1.99, 3 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]furan-2-carboxylic acid is sourced from PubChem (CID 914237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).