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

C19H18ClN3O5 — CID 95748747

IUPACmethyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)c(C)nn1C
InChIInChI=1S/C19H18ClN3O5/c1-11-16(17(19(25)26-3)23(2)22-11)21-18(24)15-9-8-12(28-15)10-27-14-7-5-4-6-13(14)20/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyOSHNYKKHSCGUQI-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.59
Rot. Bonds6

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

methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95748747) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95748747
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Namemethyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)c(C)nn1C
InChIInChI=1S/C19H18ClN3O5/c1-11-16(17(19(25)26-3)23(2)22-11)21-18(24)15-9-8-12(28-15)10-27-14-7-5-4-6-13(14)20/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyOSHNYKKHSCGUQI-UHFFFAOYSA-N
XLogP3.59
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458743
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19457050
5-[(2-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19458742
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19335530
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393497
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393451
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19393652
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19347185
5-[(2-chlorophenoxy)methyl]-N-(2-cyclopentyl-5-methylpyrazol-3-yl)furan-2-carboxamide
CID 35535968

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate (CID 95748747) is methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)c2ccc(COc3ccccc3Cl)o2)c(C)nn1C.
What is the InChIKey of methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is OSHNYKKHSCGUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-11-16(17(19(25)26-3)23(2)22-11)21-18(24)15-9-8-12(28-15)10-27-14-7-5-4-6-13(14)20/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 403.82 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95748747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).