N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide

C19H21Cl2N5O — CID 19549570

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1nn(Cc2ccccc2)cc1Cl)n1nc(C)c(Cl)c1C
InChIInChI=1S/C19H21Cl2N5O/c1-4-16(26-13(3)17(21)12(2)23-26)19(27)22-18-15(20)11-25(24-18)10-14-8-6-5-7-9-14/h5-9,11,16H,4,10H2,1-3H3,(H,22,24,27)
InChIKeyWRHFQKDLJZIFCA-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.64
Rot. Bonds6

About N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide

N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide (PubChem CID 19549570) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
PubChem CID19549570
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1nn(Cc2ccccc2)cc1Cl)n1nc(C)c(Cl)c1C
InChIInChI=1S/C19H21Cl2N5O/c1-4-16(26-13(3)17(21)12(2)23-26)19(27)22-18-15(20)11-25(24-18)10-14-8-6-5-7-9-14/h5-9,11,16H,4,10H2,1-3H3,(H,22,24,27)
InChIKeyWRHFQKDLJZIFCA-UHFFFAOYSA-N
XLogP4.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549566
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19537927
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)butanamide
CID 19549429
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]butanamide
CID 19549578
N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549560
N-(4-acetamidophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549421
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474346
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]butanamide
CID 19549561
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19454868

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide (CID 19549570) is N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide is CCC(C(=O)Nc1nn(Cc2ccccc2)cc1Cl)n1nc(C)c(Cl)c1C.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
The InChIKey is WRHFQKDLJZIFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O/c1-4-16(26-13(3)17(21)12(2)23-26)19(27)22-18-15(20)11-25(24-18)10-14-8-6-5-7-9-14/h5-9,11,16H,4,10H2,1-3H3,(H,22,24,27).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide has a molecular weight of 406.32 g/mol, XLogP of 4.64, 6 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)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide is sourced from PubChem (CID 19549570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).