5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

C14H15ClN2O3 — CID 117475284

IUPAC5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCc1cc(Cl)c(OC)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C14H15ClN2O3/c1-4-8-5-9(13(20-3)10(15)6-8)12-7-11(14(18)19)16-17(12)2/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyLWQPECCBNODCAN-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.01
Rot. Bonds4

About 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 117475284) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID117475284
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCCc1cc(Cl)c(OC)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C14H15ClN2O3/c1-4-8-5-9(13(20-3)10(15)6-8)12-7-11(14(18)19)16-17(12)2/h5-7H,4H2,1-3H3,(H,18,19)
InChIKeyLWQPECCBNODCAN-UHFFFAOYSA-N
XLogP3.01
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (CID 117475284) is 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is CCc1cc(Cl)c(OC)c(-c2cc(C(=O)O)nn2C)c1.
What is the InChIKey of 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is LWQPECCBNODCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-8-5-9(13(20-3)10(15)6-8)12-7-11(14(18)19)16-17(12)2/h5-7H,4H2,1-3H3,(H,18,19).
What are the key properties of 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 294.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117475284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).