1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid

C14H16N2O3 — CID 82362041

IUPAC1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCCc1ccccc1-n1nc(C(=O)O)cc1COC
InChIInChI=1S/C14H16N2O3/c1-3-10-6-4-5-7-13(10)16-11(9-19-2)8-12(15-16)14(17)18/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyDKTACOTWOWFTCB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid

1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid (PubChem CID 82362041) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
PubChem CID82362041
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCCc1ccccc1-n1nc(C(=O)O)cc1COC
InChIInChI=1S/C14H16N2O3/c1-3-10-6-4-5-7-13(10)16-11(9-19-2)8-12(15-16)14(17)18/h4-8H,3,9H2,1-2H3,(H,17,18)
InChIKeyDKTACOTWOWFTCB-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
1-(2-ethoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361782
1-(2-methylphenyl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 82089543
1-(2-methoxyphenyl)-5-pentan-3-ylpyrazole-3-carboxylic acid
CID 82361926
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
2-[3-[2-(methoxymethyl)phenyl]triazol-4-yl]acetic acid
CID 54965389
ethyl 1-(2-ethylphenyl)-5-iodopyrazole-3-carboxylate
CID 15353981
1-(2-ethylphenyl)-4-hydroxy-6-oxopyridazine-3-carboxylic acid
CID 82419822
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
CID 23732214

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid (CID 82362041) is 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid is CCc1ccccc1-n1nc(C(=O)O)cc1COC.
What is the InChIKey of 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is DKTACOTWOWFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-10-6-4-5-7-13(10)16-11(9-19-2)8-12(15-16)14(17)18/h4-8H,3,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid?
1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82362041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).