N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide

C25H25N3O3 — CID 19337484

IUPACN-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)o2)c1
InChIInChI=1S/C25H25N3O3/c1-17-11-18(2)13-22(12-17)30-16-21-9-10-23(31-21)25(29)26-24-14-19(3)28(27-24)15-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,27,29)
InChIKeyJJRMZTLGNVRERM-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.28
Rot. Bonds7

About N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide

N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19337484) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19337484
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)o2)c1
InChIInChI=1S/C25H25N3O3/c1-17-11-18(2)13-22(12-17)30-16-21-9-10-23(31-21)25(29)26-24-14-19(3)28(27-24)15-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,27,29)
InChIKeyJJRMZTLGNVRERM-UHFFFAOYSA-N
XLogP5.28
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(1-benzyl-5-methylpyrazol-3-yl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19337567
N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19337498
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19337176
N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19286166
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19411485
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284024
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19393064
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463228
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19400673
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19411443
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19335203
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19337126

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19337484) is N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)o2)c1.
What is the InChIKey of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is JJRMZTLGNVRERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-11-18(2)13-22(12-17)30-16-21-9-10-23(31-21)25(29)26-24-14-19(3)28(27-24)15-20-7-5-4-6-8-20/h4-14H,15-16H2,1-3H3,(H,26,27,29).
What are the key properties of N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19337484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).