5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

C25H25N3O4 — CID 19410122

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccc(COc4cc(C)ccc4C)o3)cn2)c1
InChIInChI=1S/C25H25N3O4/c1-17-7-8-18(2)24(11-17)31-16-22-9-10-23(32-22)25(29)27-20-13-26-28(15-20)14-19-5-4-6-21(12-19)30-3/h4-13,15H,14,16H2,1-3H3,(H,27,29)
InChIKeyJWRMCLVIANYKII-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.98
Rot. Bonds8

About 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19410122) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID19410122
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCOc1cccc(Cn2cc(NC(=O)c3ccc(COc4cc(C)ccc4C)o3)cn2)c1
InChIInChI=1S/C25H25N3O4/c1-17-7-8-18(2)24(11-17)31-16-22-9-10-23(32-22)25(29)27-20-13-26-28(15-20)14-19-5-4-6-21(12-19)30-3/h4-13,15H,14,16H2,1-3H3,(H,27,29)
InChIKeyJWRMCLVIANYKII-UHFFFAOYSA-N
XLogP4.98
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19338428
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453236
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19336201
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19410195
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412778
5-[(2-bromophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19336198
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19338279
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19412681
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19401779
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19410122) is 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is COc1cccc(Cn2cc(NC(=O)c3ccc(COc4cc(C)ccc4C)o3)cn2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is JWRMCLVIANYKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-7-8-18(2)24(11-17)31-16-22-9-10-23(32-22)25(29)27-20-13-26-28(15-20)14-19-5-4-6-21(12-19)30-3/h4-13,15H,14,16H2,1-3H3,(H,27,29).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19410122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).