1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid

C14H16N2O3 — CID 82301479

IUPAC1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
SMILESCOCCn1nc(-c2ccc(C)cc2)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-10-3-5-11(6-4-10)12-9-13(14(17)18)16(15-12)7-8-19-2/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyJNKRMCDQVCWSSF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.20
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid

1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid (PubChem CID 82301479) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
PubChem CID82301479
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid
SMILESCOCCn1nc(-c2ccc(C)cc2)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-10-3-5-11(6-4-10)12-9-13(14(17)18)16(15-12)7-8-19-2/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyJNKRMCDQVCWSSF-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 91871540
1-(2-methoxyethyl)-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82284276
4-(1-aminoethyl)-2-(2-methoxyethyl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447529
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
4-acetyl-2-(2-methoxyethyl)-6-(4-methoxyphenyl)pyridazin-3-one
CID 82447655
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
3-(4-methoxy-3-propan-2-ylphenyl)-1-propylpyrazole-5-carboxylic acid
CID 82308466
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
3-(4-methyl-3-nitrophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761159
ethyl 1-methyl-3-(4-methylphenyl)pyrazole-5-carboxylate
CID 4083925
5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301521
3-(4-fluorophenyl)-N-(2-methoxyethyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 4558582

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid (CID 82301479) is 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid is COCCn1nc(-c2ccc(C)cc2)cc1C(=O)O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is JNKRMCDQVCWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-3-5-11(6-4-10)12-9-13(14(17)18)16(15-12)7-8-19-2/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid?
1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(4-methylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82301479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).