N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide

C19H18ClN3O — CID 19335243

IUPACN-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-7-9-15(10-8-13)19(24)21-18-11-14(2)23(22-18)12-16-5-3-4-6-17(16)20/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyNNESATKIRMWKPU-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.45
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide

N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide (PubChem CID 19335243) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
PubChem CID19335243
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN3O/c1-13-7-9-15(10-8-13)19(24)21-18-11-14(2)23(22-18)12-16-5-3-4-6-17(16)20/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyNNESATKIRMWKPU-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-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 19335373
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19335276
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19335188
4-[(3-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19335279
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-methylphenyl)thiourea
CID 19403711
3-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19335177
3-chloro-N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-benzothiophene-2-carboxamide
CID 19335367
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19335237
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19335164
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19339600

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide (CID 19335243) is N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C)n(Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide?
The InChIKey is NNESATKIRMWKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-13-7-9-15(10-8-13)19(24)21-18-11-14(2)23(22-18)12-16-5-3-4-6-17(16)20/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide?
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide 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-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide is sourced from PubChem (CID 19335243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).