1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide

C25H20F4N4O4 — CID 19400289

IUPAC1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C25H20F4N4O4/c1-2-33-12-19(22(32-33)25(35)30-11-16-4-3-9-36-16)31-24(34)15-7-5-14(6-8-15)13-37-23-20(28)17(26)10-18(27)21(23)29/h3-10,12H,2,11,13H2,1H3,(H,30,35)(H,31,34)
InChIKeySPFNECVNGYYZAP-UHFFFAOYSA-N
MW516.45 g/mol
LogP4.81
Rot. Bonds9

About 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide (PubChem CID 19400289) has the molecular formula C25H20F4N4O4 and a molecular weight of 516.45 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
PubChem CID19400289
Molecular FormulaC25H20F4N4O4
Molecular Weight516.45 g/mol
Exact Mass516.14
IUPAC Name1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C25H20F4N4O4/c1-2-33-12-19(22(32-33)25(35)30-11-16-4-3-9-36-16)31-24(34)15-7-5-14(6-8-15)13-37-23-20(28)17(26)10-18(27)21(23)29/h3-10,12H,2,11,13H2,1H3,(H,30,35)(H,31,34)
InChIKeySPFNECVNGYYZAP-UHFFFAOYSA-N
XLogP4.81
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(2-chloro-5-methylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400298
4-[(3,4-dimethoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400329
4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400249
1-ethyl-N-(furan-2-ylmethyl)-4-[(3-methoxybenzoyl)amino]pyrazole-3-carboxamide
CID 19400201
1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400220
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400521
1-ethyl-N-(furan-2-ylmethyl)-4-[[5-[(4-propylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19454623
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
4-[(5-chloro-2-methoxybenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400331
4-[[4-[(4-chloro-3-methylphenoxy)methyl]benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400516

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide (CID 19400289) is 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
The InChIKey is SPFNECVNGYYZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O4/c1-2-33-12-19(22(32-33)25(35)30-11-16-4-3-9-36-16)31-24(34)15-7-5-14(6-8-15)13-37-23-20(28)17(26)10-18(27)21(23)29/h3-10,12H,2,11,13H2,1H3,(H,30,35)(H,31,34).
What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?
1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide has a molecular weight of 516.45 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[[4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19400289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).