[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate

C18H14Cl2N2O3 — CID 1061709

IUPAC[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
SMILESCOCc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N2O3/c1-24-11-13-9-17(25-18(23)12-5-3-2-4-6-12)22(21-13)14-7-8-15(19)16(20)10-14/h2-10H,11H2,1H3
InChIKeyNISCJLHXDDNKNS-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.54
Rot. Bonds5

About [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate

[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate (PubChem CID 1061709) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
PubChem CID1061709
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate
SMILESCOCc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C18H14Cl2N2O3/c1-24-11-13-9-17(25-18(23)12-5-3-2-4-6-12)22(21-13)14-7-8-15(19)16(20)10-14/h2-10H,11H2,1H3
InChIKeyNISCJLHXDDNKNS-UHFFFAOYSA-N
XLogP4.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-methylbenzoate
CID 42726686
[1-(3,4-dichlorophenyl)-3-propan-2-ylpyrazol-5-yl] benzoate
CID 1061693
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-fluorobenzoate
CID 42727058
[1-(3-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] 3-bromobenzoate
CID 42727061
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] benzoate
CID 770808
[3-(methoxymethyl)-1-phenylpyrazol-5-yl] 4-butylbenzoate
CID 42726698
[1-(3,4-dichlorophenyl)-3-propylpyrazol-5-yl] 3,5-dimethoxybenzoate
CID 42728247
[1-(3-fluorophenyl)-3-propylpyrazol-5-yl] benzoate
CID 42727968
[1-(2,4-dimethylphenyl)-3-(methoxymethyl)pyrazol-5-yl] 4-tert-butylbenzoate
CID 42727298
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 3-fluorobenzoate
CID 42727436
[1-(4-chlorophenyl)-3-ethylpyrazol-5-yl] 4-fluorobenzoate
CID 42727427
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate?
The IUPAC name of [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate (CID 1061709) is [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate?
The canonical SMILES for [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate is COCc1cc(OC(=O)c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate?
The InChIKey is NISCJLHXDDNKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-24-11-13-9-17(25-18(23)12-5-3-2-4-6-12)22(21-13)14-7-8-15(19)16(20)10-14/h2-10H,11H2,1H3.
What are the key properties of [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate?
[1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate has a molecular weight of 377.23 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-3-(methoxymethyl)pyrazol-5-yl] benzoate is sourced from PubChem (CID 1061709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).