N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide

C21H21Cl2N3O4 — CID 19337333

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)c(OC)c1OC
InChIInChI=1S/C21H21Cl2N3O4/c1-12-9-18(25-26(12)11-13-5-6-14(22)10-16(13)23)24-21(27)15-7-8-17(28-2)20(30-4)19(15)29-3/h5-10H,11H2,1-4H3,(H,24,25,27)
InChIKeyNCDLKUYLEPOFAB-UHFFFAOYSA-N
MW450.32 g/mol
LogP4.82
Rot. Bonds7

About N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide (PubChem CID 19337333) has the molecular formula C21H21Cl2N3O4 and a molecular weight of 450.32 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
PubChem CID19337333
Molecular FormulaC21H21Cl2N3O4
Molecular Weight450.32 g/mol
Exact Mass449.09
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)c(OC)c1OC
InChIInChI=1S/C21H21Cl2N3O4/c1-12-9-18(25-26(12)11-13-5-6-14(22)10-16(13)23)24-21(27)15-7-8-17(28-2)20(30-4)19(15)29-3/h5-10H,11H2,1-4H3,(H,24,25,27)
InChIKeyNCDLKUYLEPOFAB-UHFFFAOYSA-N
XLogP4.82
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19337178
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
5-bromo-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19337211
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337198
4-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496378
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
N-(1-benzyl-5-methylpyrazol-3-yl)-2,4-dichlorobenzamide
CID 19335076
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-ethylbutanamide
CID 19337125

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide (CID 19337333) is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)c(OC)c1OC.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide?
The InChIKey is NCDLKUYLEPOFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O4/c1-12-9-18(25-26(12)11-13-5-6-14(22)10-16(13)23)24-21(27)15-7-8-17(28-2)20(30-4)19(15)29-3/h5-10H,11H2,1-4H3,(H,24,25,27).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide?
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 450.32 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 19337333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).