N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide

C18H16ClN3O — CID 19400825

IUPACN-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nn(Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H16ClN3O/c1-13-7-5-6-10-15(13)18(23)20-17-16(19)12-22(21-17)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,20,21,23)
InChIKeyOWEZRUUOPQXMRQ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.15
Rot. Bonds4

About N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide

N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide (PubChem CID 19400825) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
PubChem CID19400825
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nn(Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H16ClN3O/c1-13-7-5-6-10-15(13)18(23)20-17-16(19)12-22(21-17)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,20,21,23)
InChIKeyOWEZRUUOPQXMRQ-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
CID 19400769
N-(1-benzyl-4-chloropyrazol-3-yl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474346
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
N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
2-(4-chlorobenzoyl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407351
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethylbenzamide
CID 19409217
1-(1-benzyl-4-chloropyrazol-3-yl)-3-(2-methylphenyl)thiourea
CID 19399501
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059
N-(1-benzyl-4-chloropyrazol-3-yl)-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
CID 19400734
N-(1-benzyl-4-chloropyrazol-3-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19400722
N-(1-benzyl-4-chloropyrazol-3-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19475114

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide?
The IUPAC name of N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide (CID 19400825) is N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nn(Cc2ccccc2)cc1Cl.
What is the InChIKey of N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide?
The InChIKey is OWEZRUUOPQXMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13-7-5-6-10-15(13)18(23)20-17-16(19)12-22(21-17)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3,(H,20,21,23).
What are the key properties of N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide?
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide has a molecular weight of 325.80 g/mol, XLogP of 4.15, 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-methylbenzamide is sourced from PubChem (CID 19400825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).