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

C17H16BrN3O3 — CID 1314845

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-23-14-4-2-12(3-5-14)8-19-17(22)16-7-6-15(24-16)11-21-10-13(18)9-20-21/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyBTXAOQBDGPLHIR-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.23
Rot. Bonds6

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

5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 1314845) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID1314845
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1
InChIInChI=1S/C17H16BrN3O3/c1-23-14-4-2-12(3-5-14)8-19-17(22)16-7-6-15(24-16)11-21-10-13(18)9-20-21/h2-7,9-10H,8,11H2,1H3,(H,19,22)
InChIKeyBTXAOQBDGPLHIR-UHFFFAOYSA-N
XLogP3.23
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide (CID 1314845) is 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(CNC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is BTXAOQBDGPLHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-23-14-4-2-12(3-5-14)8-19-17(22)16-7-6-15(24-16)11-21-10-13(18)9-20-21/h2-7,9-10H,8,11H2,1H3,(H,19,22).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 390.24 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1314845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).