1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid

C14H16N2O3 — CID 65446393

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(CCn2cc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-10-13(14(17)18)9-16(15-10)8-7-11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyGXGVOXRNZHXXDN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid

1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid (PubChem CID 65446393) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
PubChem CID65446393
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(CCn2cc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-10-13(14(17)18)9-16(15-10)8-7-11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyGXGVOXRNZHXXDN-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 102802775
3-methyl-1-octylpyrazole-4-carboxylic acid
CID 14277915
4-chloro-3-iodo-1-[2-(4-methoxyphenyl)ethyl]pyrazole
CID 79785349
1-(3-methoxy-3-methylbutyl)-3-methylpyrazole-4-carboxylic acid
CID 103034249
methyl 1-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 78925160
4-bromo-3-iodo-1-[2-(4-methoxyphenyl)ethyl]pyrazole
CID 79784611
2-(4-methoxyphenyl)-1-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]ethanone
CID 73347920
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazole-4-carboxylic acid
CID 159632492
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 19498459

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid (CID 65446393) is 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid is COc1ccc(CCn2cc(C(=O)O)c(C)n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid?
The InChIKey is GXGVOXRNZHXXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-13(14(17)18)9-16(15-10)8-7-11-3-5-12(19-2)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid?
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 65446393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).