N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

C25H23ClN4O3 — CID 164613900

IUPACN-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)NCc3ccccc3)o2)n1
InChIInChI=1S/C25H23ClN4O3/c1-16-12-17(2)30(29-16)15-20-9-11-23(33-20)25(32)28-22-10-8-19(26)13-21(22)24(31)27-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyAJIPKULZGOYVMG-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.98
Rot. Bonds7

About N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 164613900) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID164613900
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)NCc3ccccc3)o2)n1
InChIInChI=1S/C25H23ClN4O3/c1-16-12-17(2)30(29-16)15-20-9-11-23(33-20)25(32)28-22-10-8-19(26)13-21(22)24(31)27-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyAJIPKULZGOYVMG-UHFFFAOYSA-N
XLogP4.98
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
3-({5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)-4-methylbenzoic acid
CID 4695206
2-[1-[[4-[(5-Chloro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766348
2-[1-[[4-[(5-Chloro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 86766353
2-((Furan-2-ylmethyl)amino)-2-oxoethyl 5-chloro-1-(2-chlorobenzyl)-3-methyl-1H-pyrazole-4-carboxylate
CID 2571609
2-(5-Chloro-3-phenyl-1H-indazol-1-YL)-N-[(furan-2-YL)methyl]propanamide
CID 5309691
N'-[(E)-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-[(phenylamino)methyl]furan-2-carbohydrazide
CID 6886420
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 20876954
[4-[1-(4-Chlorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 20918575
1-benzyl-5-chloro-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 2563157
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3,5-dimethylphenyl)-2-furamide
CID 994876

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 164613900) is N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)NCc3ccccc3)o2)n1.
What is the InChIKey of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is AJIPKULZGOYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-16-12-17(2)30(29-16)15-20-9-11-23(33-20)25(32)28-22-10-8-19(26)13-21(22)24(31)27-14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)-4-chlorophenyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 164613900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).