4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

C20H20F2N4O4 — CID 19453358

IUPAC4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1C(=O)N(C)C
InChIInChI=1S/C20H20F2N4O4/c1-4-26-18(20(28)25(2)3)15(10-23-26)24-19(27)17-8-6-13(30-17)11-29-16-7-5-12(21)9-14(16)22/h5-10H,4,11H2,1-3H3,(H,24,27)
InChIKeyYTXAWPOJDDCLCZ-UHFFFAOYSA-N
MW418.40 g/mol
LogP3.31
Rot. Bonds7

About 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide

4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (PubChem CID 19453358) has the molecular formula C20H20F2N4O4 and a molecular weight of 418.40 g/mol. Its IUPAC name is 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
PubChem CID19453358
Molecular FormulaC20H20F2N4O4
Molecular Weight418.40 g/mol
Exact Mass418.15
IUPAC Name4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
SMILESCCn1ncc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1C(=O)N(C)C
InChIInChI=1S/C20H20F2N4O4/c1-4-26-18(20(28)25(2)3)15(10-23-26)24-19(27)17-8-6-13(30-17)11-29-16-7-5-12(21)9-14(16)22/h5-10H,4,11H2,1-3H3,(H,24,27)
InChIKeyYTXAWPOJDDCLCZ-UHFFFAOYSA-N
XLogP3.31
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide with MolForge

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Related Compounds

4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339915
methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19584630
5-[(2,4-difluorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19453344
5-[(2,4-difluorophenoxy)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35336375
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336639
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chloro-4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19464609
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113
N-(3,5-dichloro-2-pyridinyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 35336225
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453236
1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
CID 19339871
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453250
4-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19463637

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide (CID 19453358) is 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is CCn1ncc(NC(=O)c2ccc(COc3ccc(F)cc3F)o2)c1C(=O)N(C)C.
What is the InChIKey of 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
The InChIKey is YTXAWPOJDDCLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-4-26-18(20(28)25(2)3)15(10-23-26)24-19(27)17-8-6-13(30-17)11-29-16-7-5-12(21)9-14(16)22/h5-10H,4,11H2,1-3H3,(H,24,27).
What are the key properties of 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide?
4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide has a molecular weight of 418.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2,4-difluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19453358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).