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

C19H17ClN2O3 — CID 8576204

IUPAC(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccccc1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H17ClN2O3/c1-13-17(18(20)22(21-13)15-9-4-3-5-10-15)19(23)25-12-14-8-6-7-11-16(14)24-2/h3-11H,12H2,1-2H3
InChIKeyOGEBXNKCUXZGTN-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.20
Rot. Bonds5

About (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate

(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 8576204) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID8576204
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name(2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
SMILESCOc1ccccc1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl
InChIInChI=1S/C19H17ClN2O3/c1-13-17(18(20)22(21-13)15-9-4-3-5-10-15)19(23)25-12-14-8-6-7-11-16(14)24-2/h3-11H,12H2,1-2H3
InChIKeyOGEBXNKCUXZGTN-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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Related Compounds

(2,5-dimethoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8879677
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
(5-acetyl-2-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 4783540
(3-methoxycarbonylphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576440
[2-(4-chlorophenyl)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576220
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22830645
5-chloro-N-[1-(2-methoxyphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78771628
[2-oxo-2-(2-phenylethylamino)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576370
[2-(2-carbamoylanilino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 7557582
5-chloro-3-methyl-1-phenyl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 4808544
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913575
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 7557526

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate (CID 8576204) is (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate is COc1ccccc1COC(=O)c1c(C)nn(-c2ccccc2)c1Cl.
What is the InChIKey of (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is OGEBXNKCUXZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-13-17(18(20)22(21-13)15-9-4-3-5-10-15)19(23)25-12-14-8-6-7-11-16(14)24-2/h3-11H,12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate?
(2-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 (2-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 8576204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).