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

C16H11BrF4N4O2 — CID 19467904

IUPAC5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C16H11BrF4N4O2/c17-8-1-4-13(22-6-8)23-16(26)12-3-2-9(27-12)7-25-11(15(20)21)5-10(24-25)14(18)19/h1-6,14-15H,7H2,(H,22,23,26)
InChIKeyKNFUWOOQRDNSSA-UHFFFAOYSA-N
MW447.19 g/mol
LogP4.81
Rot. Bonds6

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

5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide (PubChem CID 19467904) has the molecular formula C16H11BrF4N4O2 and a molecular weight of 447.19 g/mol. Its IUPAC name is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide
PubChem CID19467904
Molecular FormulaC16H11BrF4N4O2
Molecular Weight447.19 g/mol
Exact Mass446.00
IUPAC Name5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1
InChIInChI=1S/C16H11BrF4N4O2/c17-8-1-4-13(22-6-8)23-16(26)12-3-2-9(27-12)7-25-11(15(20)21)5-10(24-25)14(18)19/h1-6,14-15H,7H2,(H,22,23,26)
InChIKeyKNFUWOOQRDNSSA-UHFFFAOYSA-N
XLogP4.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.19
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-sulfanylethyl)furan-2-carboxamide
CID 19467994
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-[(4-bromo-1-ethylpyrazol-5-yl)methyl]furan-2-carboxamide
CID 19468147
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-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468092
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19468072
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19468102
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468085
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19468086
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19468136

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide (CID 19467904) is 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide is O=C(Nc1ccc(Br)cn1)c1ccc(Cn2nc(C(F)F)cc2C(F)F)o1.
What is the InChIKey of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide?
The InChIKey is KNFUWOOQRDNSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF4N4O2/c17-8-1-4-13(22-6-8)23-16(26)12-3-2-9(27-12)7-25-11(15(20)21)5-10(24-25)14(18)19/h1-6,14-15H,7H2,(H,22,23,26).
What are the key properties of 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide?
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide has a molecular weight of 447.19 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(5-bromo-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 19467904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).