N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide

C20H19Cl2N3O — CID 19339600

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)n(Cc3c(Cl)cccc3Cl)n2)cc1C
InChIInChI=1S/C20H19Cl2N3O/c1-12-7-8-15(9-13(12)2)20(26)23-19-10-14(3)25(24-19)11-16-17(21)5-4-6-18(16)22/h4-10H,11H2,1-3H3,(H,23,24,26)
InChIKeyOYYVBXFDJFXOHS-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.42
Rot. Bonds4

About N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide

N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide (PubChem CID 19339600) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
PubChem CID19339600
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C)n(Cc3c(Cl)cccc3Cl)n2)cc1C
InChIInChI=1S/C20H19Cl2N3O/c1-12-7-8-15(9-13(12)2)20(26)23-19-10-14(3)25(24-19)11-16-17(21)5-4-6-18(16)22/h4-10H,11H2,1-3H3,(H,23,24,26)
InChIKeyOYYVBXFDJFXOHS-UHFFFAOYSA-N
XLogP5.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19411607
N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzamide
CID 19337761
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339660
4-[(3-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19339573
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 19339288
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19339205
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
N-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 19335243
1-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methylthiourea
CID 19405441
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339671
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-[(4-nitrophenoxy)methyl]benzamide
CID 19339553
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19335444

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide (CID 19339600) is N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2cc(C)n(Cc3c(Cl)cccc3Cl)n2)cc1C.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
The InChIKey is OYYVBXFDJFXOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-12-7-8-15(9-13(12)2)20(26)23-19-10-14(3)25(24-19)11-16-17(21)5-4-6-18(16)22/h4-10H,11H2,1-3H3,(H,23,24,26).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide?
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide has a molecular weight of 388.30 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 19339600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).