N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide

C20H19Cl2N3O4 — CID 19407129

IUPACN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c(OC)c1OC
InChIInChI=1S/C20H19Cl2N3O4/c1-27-16-8-7-12(18(28-2)19(16)29-3)20(26)23-17-9-10-25(24-17)11-13-14(21)5-4-6-15(13)22/h4-10H,11H2,1-3H3,(H,23,24,26)
InChIKeyDHIMNBQPNYTQLS-UHFFFAOYSA-N
MW436.30 g/mol
LogP4.52
Rot. Bonds7

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide (PubChem CID 19407129) has the molecular formula C20H19Cl2N3O4 and a molecular weight of 436.30 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
PubChem CID19407129
Molecular FormulaC20H19Cl2N3O4
Molecular Weight436.30 g/mol
Exact Mass435.08
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c(OC)c1OC
InChIInChI=1S/C20H19Cl2N3O4/c1-27-16-8-7-12(18(28-2)19(16)29-3)20(26)23-17-9-10-25(24-17)11-13-14(21)5-4-6-15(13)22/h4-10H,11H2,1-3H3,(H,23,24,26)
InChIKeyDHIMNBQPNYTQLS-UHFFFAOYSA-N
XLogP4.52
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19285749
4-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498683
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-nitrobenzamide
CID 19285650
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
2-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19507182
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280029
5-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19404949

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide (CID 19407129) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c(OC)c1OC.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide?
The InChIKey is DHIMNBQPNYTQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4/c1-27-16-8-7-12(18(28-2)19(16)29-3)20(26)23-17-9-10-25(24-17)11-13-14(21)5-4-6-15(13)22/h4-10H,11H2,1-3H3,(H,23,24,26).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide?
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 436.30 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 19407129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).