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

C18H14BrN5O2 — CID 86876078

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C18H14BrN5O2/c19-13-10-20-23(11-13)12-15-6-7-16(26-15)18(25)21-17-8-9-24(22-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22,25)
InChIKeyNACXQHLPMKFMJR-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.72
Rot. Bonds5

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

5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide (PubChem CID 86876078) has the molecular formula C18H14BrN5O2 and a molecular weight of 412.25 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide
PubChem CID86876078
Molecular FormulaC18H14BrN5O2
Molecular Weight412.25 g/mol
Exact Mass411.03
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C18H14BrN5O2/c19-13-10-20-23(11-13)12-15-6-7-16(26-15)18(25)21-17-8-9-24(22-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22,25)
InChIKeyNACXQHLPMKFMJR-UHFFFAOYSA-N
XLogP3.72
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 3574616
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 35334159
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35334164
methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 920228
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19285356
(4-methylphenyl) 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876046
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913
5-[(4-bromopyrazol-1-yl)methyl]-N-[1-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide
CID 86961455
5-[(4-bromopyrazol-1-yl)methyl]-N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 45153888
(2R)-4-[5-[(4-bromopyrazol-1-yl)methyl]furan-2-carbonyl]morpholine-2-carboxylic acid
CID 129415641

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide (CID 86876078) is 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide?
The InChIKey is NACXQHLPMKFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O2/c19-13-10-20-23(11-13)12-15-6-7-16(26-15)18(25)21-17-8-9-24(22-17)14-4-2-1-3-5-14/h1-11H,12H2,(H,21,22,25).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide has a molecular weight of 412.25 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-(1-phenylpyrazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 86876078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).