N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide

C19H18ClN3O — CID 19400769

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-13-8-9-14(2)16(10-13)19(24)21-18-17(20)12-23(22-18)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyMHRDFIKQBYFADR-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.45
Rot. Bonds4

About N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide

N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide (PubChem CID 19400769) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
PubChem CID19400769
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c1
InChIInChI=1S/C19H18ClN3O/c1-13-8-9-14(2)16(10-13)19(24)21-18-17(20)12-23(22-18)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22,24)
InChIKeyMHRDFIKQBYFADR-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethylbenzamide
CID 19409217
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474346
4-[[4-chloro-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496420
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
N-(1-benzyl-4-chloropyrazol-3-yl)-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266540
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474899

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide (CID 19400769) is N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2nn(Cc3ccccc3)cc2Cl)c1.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide?
The InChIKey is MHRDFIKQBYFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-8-9-14(2)16(10-13)19(24)21-18-17(20)12-23(22-18)11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide has a molecular weight of 339.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 19400769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).