(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate

C18H15ClN2O3 — CID 60546133

IUPAC(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
SMILESCOc1ccc(COC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-16-7-5-13(6-8-16)12-24-18(22)17-9-10-21(20-17)15-4-2-3-14(19)11-15/h2-11H,12H2,1H3
InChIKeyUIWHQBXIVGSKCK-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.89
Rot. Bonds5

About (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate

(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate (PubChem CID 60546133) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
PubChem CID60546133
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
SMILESCOc1ccc(COC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-23-16-7-5-13(6-8-16)12-24-18(22)17-9-10-21(20-17)15-4-2-3-14(19)11-15/h2-11H,12H2,1H3
InChIKeyUIWHQBXIVGSKCK-UHFFFAOYSA-N
XLogP3.89
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 60546555
(3-methoxyphenyl)methyl 1-(3-nitrophenyl)pyrazole-3-carboxylate
CID 55667193
ethyl 1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 47042107
(4-tert-butylphenyl)methyl 1-pyridin-3-ylpyrazole-3-carboxylate
CID 166359913
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 55929086
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 166376107
(4-chlorophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 18272683
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
1-(3-chlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyrazole-3-carboxamide
CID 55925389
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189144

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate (CID 60546133) is (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate is COc1ccc(COC(=O)c2ccn(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate?
The InChIKey is UIWHQBXIVGSKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-23-16-7-5-13(6-8-16)12-24-18(22)17-9-10-21(20-17)15-4-2-3-14(19)11-15/h2-11H,12H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate?
(4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate has a molecular weight of 342.78 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 1-(3-chlorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 60546133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).