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

C25H25N3O5 — CID 19412778

IUPACN-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3cnn(COc4ccc(C)cc4C)c3)o2)c1
InChIInChI=1S/C25H25N3O5/c1-17-7-9-23(18(2)11-17)32-16-28-14-19(13-26-28)27-25(29)24-10-8-22(33-24)15-31-21-6-4-5-20(12-21)30-3/h4-14H,15-16H2,1-3H3,(H,27,29)
InChIKeyXOBLKWQQBFUCSR-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.97
Rot. Bonds9

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

N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19412778) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19412778
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3cnn(COc4ccc(C)cc4C)c3)o2)c1
InChIInChI=1S/C25H25N3O5/c1-17-7-9-23(18(2)11-17)32-16-28-14-19(13-26-28)27-25(29)24-10-8-22(33-24)15-31-21-6-4-5-20(12-21)30-3/h4-14H,15-16H2,1-3H3,(H,27,29)
InChIKeyXOBLKWQQBFUCSR-UHFFFAOYSA-N
XLogP4.97
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19417168
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412988
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461723
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457157
5-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19410122
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
5-[(2,4-dimethylphenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60566843
methyl 2-[[4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402207
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19401779
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453236
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19338428

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19412778) is N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)Nc3cnn(COc4ccc(C)cc4C)c3)o2)c1.
What is the InChIKey of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is XOBLKWQQBFUCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-17-7-9-23(18(2)11-17)32-16-28-14-19(13-26-28)27-25(29)24-10-8-22(33-24)15-31-21-6-4-5-20(12-21)30-3/h4-14H,15-16H2,1-3H3,(H,27,29).
What are the key properties of N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19412778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).