4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

C18H16Cl2N4O4 — CID 19412480

IUPAC4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C(N)=O)n1
InChIInChI=1S/C18H16Cl2N4O4/c1-2-24-8-13(16(23-24)17(21)25)22-18(26)15-6-4-11(28-15)9-27-14-5-3-10(19)7-12(14)20/h3-8H,2,9H2,1H3,(H2,21,25)(H,22,26)
InChIKeyDCMPYLGQPYLYFA-UHFFFAOYSA-N
MW423.26 g/mol
LogP3.73
Rot. Bonds7

About 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19412480) has the molecular formula C18H16Cl2N4O4 and a molecular weight of 423.26 g/mol. Its IUPAC name is 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19412480
Molecular FormulaC18H16Cl2N4O4
Molecular Weight423.26 g/mol
Exact Mass422.05
IUPAC Name4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C(N)=O)n1
InChIInChI=1S/C18H16Cl2N4O4/c1-2-24-8-13(16(23-24)17(21)25)22-18(26)15-6-4-11(28-15)9-27-14-5-3-10(19)7-12(14)20/h3-8H,2,9H2,1H3,(H2,21,25)(H,22,26)
InChIKeyDCMPYLGQPYLYFA-UHFFFAOYSA-N
XLogP3.73
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19463521
4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412473
4-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19463615
propan-2-yl 4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404461
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
4-[[5-[(2-chloro-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19463579
propan-2-yl 4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404351
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402566
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
propan-2-yl 4-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404421
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3392099
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337889

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide (CID 19412480) is 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C(N)=O)n1.
What is the InChIKey of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is DCMPYLGQPYLYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O4/c1-2-24-8-13(16(23-24)17(21)25)22-18(26)15-6-4-11(28-15)9-27-14-5-3-10(19)7-12(14)20/h3-8H,2,9H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 423.26 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19412480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).