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

C21H13Cl4F4N5O2 — CID 19413856

IUPAC5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C21H13Cl4F4N5O2/c22-10-2-1-9(12(23)5-10)6-33-8-13(24)20(32-33)30-21(35)14-4-3-11(36-14)7-34-17(19(28)29)15(25)16(31-34)18(26)27/h1-5,8,18-19H,6-7H2,(H,30,32,35)
InChIKeyLWAWPLVWPCNXSA-UHFFFAOYSA-N
MW585.17 g/mol
LogP7.51
Rot. Bonds8

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

5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 19413856) has the molecular formula C21H13Cl4F4N5O2 and a molecular weight of 585.17 g/mol. Its IUPAC name is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
PubChem CID19413856
Molecular FormulaC21H13Cl4F4N5O2
Molecular Weight585.17 g/mol
Exact Mass582.98
IUPAC Name5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1
InChIInChI=1S/C21H13Cl4F4N5O2/c22-10-2-1-9(12(23)5-10)6-33-8-13(24)20(32-33)30-21(35)14-4-3-11(36-14)7-34-17(19(28)29)15(25)16(31-34)18(26)27/h1-5,8,18-19H,6-7H2,(H,30,32,35)
InChIKeyLWAWPLVWPCNXSA-UHFFFAOYSA-N
XLogP7.51
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.17
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19413869
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-methylfuran-2-carboxamide
CID 19413957
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19396828
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454854
N-[3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19413915
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-(2-cyanophenyl)furan-2-carboxamide
CID 19413858
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268594
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 19392758
methyl 2-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19413797
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19413883
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19454890
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19396848

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide (CID 19413856) is 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccc(Cn2nc(C(F)F)c(Cl)c2C(F)F)o1.
What is the InChIKey of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is LWAWPLVWPCNXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl4F4N5O2/c22-10-2-1-9(12(23)5-10)6-33-8-13(24)20(32-33)30-21(35)14-4-3-11(36-14)7-34-17(19(28)29)15(25)16(31-34)18(26)27/h1-5,8,18-19H,6-7H2,(H,30,32,35).
What are the key properties of 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide?
5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 585.17 g/mol, XLogP of 7.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 19413856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).