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

C24H23N3O3 — CID 19286166

IUPACN-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)o2)c1
InChIInChI=1S/C24H23N3O3/c1-17-12-18(2)14-21(13-17)29-16-20-8-9-22(30-20)24(28)25-23-10-11-27(26-23)15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,26,28)
InChIKeyVMXGCRPQMVZJPB-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.97
Rot. Bonds7

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

N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19286166) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19286166
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)cc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)o2)c1
InChIInChI=1S/C24H23N3O3/c1-17-12-18(2)14-21(13-17)29-16-20-8-9-22(30-20)24(28)25-23-10-11-27(26-23)15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,26,28)
InChIKeyVMXGCRPQMVZJPB-UHFFFAOYSA-N
XLogP4.97
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-5-methylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19337484
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19400673
5-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19452491
5-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19403152
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19403187
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19450765
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454586
5-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19465654
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19403189
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19286166) is N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1cc(C)cc(OCc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)o2)c1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is VMXGCRPQMVZJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-12-18(2)14-21(13-17)29-16-20-8-9-22(30-20)24(28)25-23-10-11-27(26-23)15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,26,28).
What are the key properties of N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19286166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).