(4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate

C19H17ClN2O3 — CID 16578791

IUPAC(4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c1-13-17(18(20)22(21-13)15-6-4-3-5-7-15)19(23)25-12-14-8-10-16(24-2)11-9-14/h3-11H,12H2,1-2H3
InChIKeyYUISSUSCHQSLLM-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.20
Rot. Bonds5

About (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate

(4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 16578791) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID16578791
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1
InChIInChI=1S/C19H17ClN2O3/c1-13-17(18(20)22(21-13)15-6-4-3-5-7-15)19(23)25-12-14-8-10-16(24-2)11-9-14/h3-11H,12H2,1-2H3
InChIKeyYUISSUSCHQSLLM-UHFFFAOYSA-N
XLogP4.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate (CID 16578791) is (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate is COc1ccc(COC(=O)c2c(C)nn(-c3ccccc3)c2Cl)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is YUISSUSCHQSLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-13-17(18(20)22(21-13)15-6-4-3-5-7-15)19(23)25-12-14-8-10-16(24-2)11-9-14/h3-11H,12H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
(4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 16578791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).