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

C21H23N3O5 — CID 19450996

IUPACmethyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c(C(=O)OC)n1
InChIInChI=1S/C21H23N3O5/c1-5-24-11-17(19(23-24)21(26)27-4)22-20(25)18-9-8-16(29-18)12-28-15-7-6-13(2)14(3)10-15/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyWGNPBGNFURIEKL-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.73
Rot. Bonds7

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

methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate (PubChem CID 19450996) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
PubChem CID19450996
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Namemethyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
SMILESCCn1cc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c(C(=O)OC)n1
InChIInChI=1S/C21H23N3O5/c1-5-24-11-17(19(23-24)21(26)27-4)22-20(25)18-9-8-16(29-18)12-28-15-7-6-13(2)14(3)10-15/h6-11H,5,12H2,1-4H3,(H,22,25)
InChIKeyWGNPBGNFURIEKL-UHFFFAOYSA-N
XLogP3.73
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate with MolForge

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Related Compounds

methyl 1-ethyl-4-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19449114
propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19402731
propan-2-yl 4-[[5-[(3,5-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404377
1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398338
1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398380
4-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398411
propan-2-yl 4-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404402
propan-2-yl 4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404351
4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412473
methyl 1-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19414239
propan-2-yl 1-ethyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19404466
propan-2-yl 4-[[5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404421

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate (CID 19450996) is methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate is CCn1cc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c(C(=O)OC)n1.
What is the InChIKey of methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
The InChIKey is WGNPBGNFURIEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-5-24-11-17(19(23-24)21(26)27-4)22-20(25)18-9-8-16(29-18)12-28-15-7-6-13(2)14(3)10-15/h6-11H,5,12H2,1-4H3,(H,22,25).
What are the key properties of methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate?
methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(3,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate is sourced from PubChem (CID 19450996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).