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

C24H22ClN3O3 — CID 19450922

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)o2)cc1C
InChIInChI=1S/C24H22ClN3O3/c1-16-8-9-19(12-17(16)2)30-15-20-10-11-22(31-20)24(29)26-23-21(25)14-28(27-23)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,26,27,29)
InChIKeyUUELFISNUJMXPC-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.63
Rot. Bonds7

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

N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19450922) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID19450922
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)o2)cc1C
InChIInChI=1S/C24H22ClN3O3/c1-16-8-9-19(12-17(16)2)30-15-20-10-11-22(31-20)24(29)26-23-21(25)14-28(27-23)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,26,27,29)
InChIKeyUUELFISNUJMXPC-UHFFFAOYSA-N
XLogP5.63
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450993
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19400673
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400631
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400726
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417154
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19400734
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467344
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19400683
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19405260
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19405248
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19409182
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide (CID 19450922) is N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)o2)cc1C.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is UUELFISNUJMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16-8-9-19(12-17(16)2)30-15-20-10-11-22(31-20)24(29)26-23-21(25)14-28(27-23)13-18-6-4-3-5-7-18/h3-12,14H,13,15H2,1-2H3,(H,26,27,29).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 435.91 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19450922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).