methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate

C24H19ClFN3O5 — CID 19336047

IUPACmethyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccc(F)cc4Cl)c3)o2)cc1
InChIInChI=1S/C24H19ClFN3O5/c1-32-24(31)15-3-6-19(7-4-15)33-14-20-8-9-22(34-20)23(30)28-18-11-27-29(13-18)12-16-2-5-17(26)10-21(16)25/h2-11,13H,12,14H2,1H3,(H,28,30)
InChIKeyDQJRVOMRHCMFGR-UHFFFAOYSA-N
MW483.88 g/mol
LogP4.93
Rot. Bonds8

About methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19336047) has the molecular formula C24H19ClFN3O5 and a molecular weight of 483.88 g/mol. Its IUPAC name is methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19336047
Molecular FormulaC24H19ClFN3O5
Molecular Weight483.88 g/mol
Exact Mass483.10
IUPAC Namemethyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccc(F)cc4Cl)c3)o2)cc1
InChIInChI=1S/C24H19ClFN3O5/c1-32-24(31)15-3-6-19(7-4-15)33-14-20-8-9-22(34-20)23(30)28-18-11-27-29(13-18)12-16-2-5-17(26)10-21(16)25/h2-11,13H,12,14H2,1H3,(H,28,30)
InChIKeyDQJRVOMRHCMFGR-UHFFFAOYSA-N
XLogP4.93
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19412706
methyl 4-[[5-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449147
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453250
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19412681
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413216
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19412693
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414163
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19402963
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19408792
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19395593

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate (CID 19336047) is methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(=O)Nc3cnn(Cc4ccc(F)cc4Cl)c3)o2)cc1.
What is the InChIKey of methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is DQJRVOMRHCMFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O5/c1-32-24(31)15-3-6-19(7-4-15)33-14-20-8-9-22(34-20)23(30)28-18-11-27-29(13-18)12-16-2-5-17(26)10-21(16)25/h2-11,13H,12,14H2,1H3,(H,28,30).
What are the key properties of methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 483.88 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19336047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).