N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C30H35N3O5 — CID 19341165

IUPACN-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(Cn2nc(C)c(NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)c2C)cc1OC
InChIInChI=1S/C30H35N3O5/c1-18(2)24-11-8-19(3)14-27(24)37-17-23-10-13-26(38-23)30(34)31-29-20(4)32-33(21(29)5)16-22-9-12-25(35-6)28(15-22)36-7/h8-15,18H,16-17H2,1-7H3,(H,31,34)
InChIKeyVTJLICCLSPKSNB-UHFFFAOYSA-N
MW517.63 g/mol
LogP6.42
Rot. Bonds10

About N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19341165) has the molecular formula C30H35N3O5 and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
PubChem CID19341165
Molecular FormulaC30H35N3O5
Molecular Weight517.63 g/mol
Exact Mass517.26
IUPAC NameN-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccc(Cn2nc(C)c(NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)c2C)cc1OC
InChIInChI=1S/C30H35N3O5/c1-18(2)24-11-8-19(3)14-27(24)37-17-23-10-13-26(38-23)30(34)31-29-20(4)32-33(21(29)5)16-22-9-12-25(35-6)28(15-22)36-7/h8-15,18H,16-17H2,1-7H3,(H,31,34)
InChIKeyVTJLICCLSPKSNB-UHFFFAOYSA-N
XLogP6.42
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19394068
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337948
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19341243
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19341197
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337889
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19396034
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19408338
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethoxybenzamide
CID 19341334
5-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411804
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411905
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19341356

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19341165) is N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is COc1ccc(Cn2nc(C)c(NC(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)c2C)cc1OC.
What is the InChIKey of N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is VTJLICCLSPKSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O5/c1-18(2)24-11-8-19(3)14-27(24)37-17-23-10-13-26(38-23)30(34)31-29-20(4)32-33(21(29)5)16-22-9-12-25(35-6)28(15-22)36-7/h8-15,18H,16-17H2,1-7H3,(H,31,34).
What are the key properties of N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?
N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 517.63 g/mol, XLogP of 6.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19341165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).