5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide

C15H14BrN5O2 — CID 35334176

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)n1
InChIInChI=1S/C15H14BrN5O2/c1-9-5-10(2)19-15(18-9)20-14(22)13-4-3-12(23-13)8-21-7-11(16)6-17-21/h3-7H,8H2,1-2H3,(H,18,19,20,22)
InChIKeyUZOGTYCKDXUYOW-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.95
Rot. Bonds4

About 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide

5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide (PubChem CID 35334176) has the molecular formula C15H14BrN5O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
PubChem CID35334176
Molecular FormulaC15H14BrN5O2
Molecular Weight376.21 g/mol
Exact Mass375.03
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)n1
InChIInChI=1S/C15H14BrN5O2/c1-9-5-10(2)19-15(18-9)20-14(22)13-4-3-12(23-13)8-21-7-11(16)6-17-21/h3-7H,8H2,1-2H3,(H,18,19,20,22)
InChIKeyUZOGTYCKDXUYOW-UHFFFAOYSA-N
XLogP2.95
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
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-(1-phenylpyrazol-3-yl)furan-2-carboxamide
CID 86876078
(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
(4-methoxyphenyl)methyl 5-[(4-bromopyrazol-1-yl)methyl]furan-2-carboxylate
CID 86876049
5-[(4-bromopyrazol-1-yl)methyl]-N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 45153888
5-[(4-bromopyrazol-1-yl)methyl]-N-[(E)-1-[3-(2,2-dimethylpropanoylamino)phenyl]ethylideneamino]furan-2-carboxamide
CID 5431105
5-[(4-bromopyrazol-1-yl)methyl]-N-[(5-chloro-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 1028131
N-[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 996913

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide (CID 35334176) is 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide is Cc1cc(C)nc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)n1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide?
The InChIKey is UZOGTYCKDXUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2/c1-9-5-10(2)19-15(18-9)20-14(22)13-4-3-12(23-13)8-21-7-11(16)6-17-21/h3-7H,8H2,1-2H3,(H,18,19,20,22).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 2.95, 4 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-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 35334176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).