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

C21H19BrClN5O2 — CID 19454868

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)o2)c(C)c1Br
InChIInChI=1S/C21H19BrClN5O2/c1-13-19(22)14(2)28(25-13)11-16-8-9-18(30-16)21(29)24-20-17(23)12-27(26-20)10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,24,26,29)
InChIKeyFXHHSNPFHBGCDE-UHFFFAOYSA-N
MW488.77 g/mol
LogP5.05
Rot. Bonds6

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

N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 19454868) has the molecular formula C21H19BrClN5O2 and a molecular weight of 488.77 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID19454868
Molecular FormulaC21H19BrClN5O2
Molecular Weight488.77 g/mol
Exact Mass487.04
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)o2)c(C)c1Br
InChIInChI=1S/C21H19BrClN5O2/c1-13-19(22)14(2)28(25-13)11-16-8-9-18(30-16)21(29)24-20-17(23)12-27(26-20)10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,24,26,29)
InChIKeyFXHHSNPFHBGCDE-UHFFFAOYSA-N
XLogP5.05
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.77
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19454890
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19400714
N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454854
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19400734
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744472
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 19454876
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19400673
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400631
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19400726
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416061

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 19454868) is N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)Nc3nn(Cc4ccccc4)cc3Cl)o2)c(C)c1Br.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is FXHHSNPFHBGCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrClN5O2/c1-13-19(22)14(2)28(25-13)11-16-8-9-18(30-16)21(29)24-20-17(23)12-27(26-20)10-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,24,26,29).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 488.77 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).