N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide

C18H15Cl2N3O2 — CID 19398875

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-25-14-4-2-3-13(10-14)18(24)21-17-7-8-23(22-17)11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyZDNSOPOQTGOAOB-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.50
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide (PubChem CID 19398875) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
PubChem CID19398875
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-25-14-4-2-3-13(10-14)18(24)21-17-7-8-23(22-17)11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyZDNSOPOQTGOAOB-UHFFFAOYSA-N
XLogP4.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
CID 136533551
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19398933
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19398919
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19403194

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide (CID 19398875) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccn(Cc3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide?
The InChIKey is ZDNSOPOQTGOAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-25-14-4-2-3-13(10-14)18(24)21-17-7-8-23(22-17)11-12-5-6-15(19)16(20)9-12/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide has a molecular weight of 376.24 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 19398875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).