5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide

C18H19BrN4O3 — CID 95755081

IUPAC5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCN(C)Cc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)n[nH]1
InChIInChI=1S/C18H19BrN4O3/c1-23(2)10-12-9-17(22-21-12)20-18(24)16-8-7-13(26-16)11-25-15-6-4-3-5-14(15)19/h3-9H,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyUTUUQEDZUFNTHF-UHFFFAOYSA-N
MW419.28 g/mol
LogP3.66
Rot. Bonds7

About 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide (PubChem CID 95755081) has the molecular formula C18H19BrN4O3 and a molecular weight of 419.28 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
PubChem CID95755081
Molecular FormulaC18H19BrN4O3
Molecular Weight419.28 g/mol
Exact Mass418.06
IUPAC Name5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
SMILESCN(C)Cc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)n[nH]1
InChIInChI=1S/C18H19BrN4O3/c1-23(2)10-12-9-17(22-21-12)20-18(24)16-8-7-13(26-16)11-25-15-6-4-3-5-14(15)19/h3-9H,10-11H2,1-2H3,(H2,20,21,22,24)
InChIKeyUTUUQEDZUFNTHF-UHFFFAOYSA-N
XLogP3.66
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-acetylphenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide
CID 95755086
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
5-[(2-bromophenoxy)methyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 95744203
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612
5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
CID 35325335
5-[(2-methoxyphenoxy)methyl]-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 75358513
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-4-ium-1-yl)furan-2-carboxamide
CID 4748985
4-[[5-[(2-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406021
5-[(2-bromophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)furan-2-carboxamide
CID 95744847
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide (CID 95755081) is 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide is CN(C)Cc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)n[nH]1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is UTUUQEDZUFNTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O3/c1-23(2)10-12-9-17(22-21-12)20-18(24)16-8-7-13(26-16)11-25-15-6-4-3-5-14(15)19/h3-9H,10-11H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 419.28 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 95755081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).