N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C29H27N3O3 — CID 19346518

IUPACN-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1cccc(Cn2nc(C)c(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)c2C)c1
InChIInChI=1S/C29H27N3O3/c1-19-7-6-8-22(15-19)17-32-21(3)28(20(2)31-32)30-29(33)27-14-13-26(35-27)18-34-25-12-11-23-9-4-5-10-24(23)16-25/h4-16H,17-18H2,1-3H3,(H,30,33)
InChIKeyMUEFNVMYMQNBPO-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.43
Rot. Bonds7

About N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 19346518) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID19346518
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCc1cccc(Cn2nc(C)c(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)c2C)c1
InChIInChI=1S/C29H27N3O3/c1-19-7-6-8-22(15-19)17-32-21(3)28(20(2)31-32)30-29(33)27-14-13-26(35-27)18-34-25-12-11-23-9-4-5-10-24(23)16-25/h4-16H,17-18H2,1-3H3,(H,30,33)
InChIKeyMUEFNVMYMQNBPO-UHFFFAOYSA-N
XLogP6.43
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19346560
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465568
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19394132
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467347
5-[(4-bromophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337929
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463228
N-(1,5-dimethylpyrazol-3-yl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39886151
5-[(4-butan-2-ylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19450639
methyl 4-[[5-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19337987
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450886
4-[(4-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346665
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19411929

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 19346518) is N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is Cc1cccc(Cn2nc(C)c(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)c2C)c1.
What is the InChIKey of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is MUEFNVMYMQNBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-19-7-6-8-22(15-19)17-32-21(3)28(20(2)31-32)30-29(33)27-14-13-26(35-27)18-34-25-12-11-23-9-4-5-10-24(23)16-25/h4-16H,17-18H2,1-3H3,(H,30,33).
What are the key properties of N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 6.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19346518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).