5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide

C17H16BrF4N5O2 — CID 19468147

IUPAC5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C17H16BrF4N5O2/c1-2-26-13(10(18)6-24-26)7-23-17(28)14-4-3-9(29-14)8-27-12(16(21)22)5-11(25-27)15(19)20/h3-6,15-16H,2,7-8H2,1H3,(H,23,28)
InChIKeyWCJSXAGBKBMRII-UHFFFAOYSA-N
MW478.24 g/mol
LogP4.31
Rot. Bonds8

About 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 19468147) has the molecular formula C17H16BrF4N5O2 and a molecular weight of 478.24 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
PubChem CID19468147
Molecular FormulaC17H16BrF4N5O2
Molecular Weight478.24 g/mol
Exact Mass477.04
IUPAC Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C17H16BrF4N5O2/c1-2-26-13(10(18)6-24-26)7-23-17(28)14-4-3-9(29-14)8-27-12(16(21)22)5-11(25-27)15(19)20/h3-6,15-16H,2,7-8H2,1H3,(H,23,28)
InChIKeyWCJSXAGBKBMRII-UHFFFAOYSA-N
XLogP4.31
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.24
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19468090
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 19467906
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19468113
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19468136
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19467994
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460936
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19467889
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carboxylic acid
CID 17024853
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide
CID 19467904
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 19468164
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19323062
5-(1,3-benzodioxol-5-yloxymethyl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19465732

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide (CID 19468147) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide is CCn1ncc(Br)c1CNC(=O)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1.
What is the InChIKey of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is WCJSXAGBKBMRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrF4N5O2/c1-2-26-13(10(18)6-24-26)7-23-17(28)14-4-3-9(29-14)8-27-12(16(21)22)5-11(25-27)15(19)20/h3-6,15-16H,2,7-8H2,1H3,(H,23,28).
What are the key properties of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide?
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 478.24 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19468147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).