5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid

C14H16N2O3 — CID 65339133

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(Cn2nc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-9-6-10(2)16(15-9)8-11-4-5-13(19-3)12(7-11)14(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyOMIJQKDATLTKPM-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.26
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid

5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid (PubChem CID 65339133) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
PubChem CID65339133
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(Cn2nc(C)cc2C)cc1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-9-6-10(2)16(15-9)8-11-4-5-13(19-3)12(7-11)14(17)18/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyOMIJQKDATLTKPM-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339469
5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
CID 82513661
5-ethyl-2-methoxybenzoic acid
CID 20721149
3-(3-bromo-4-methoxyphenyl)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
CID 55769053
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295045
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 99646890
(E)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375502
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid (CID 65339133) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid is COc1ccc(Cn2nc(C)cc2C)cc1C(=O)O.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid?
The InChIKey is OMIJQKDATLTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-6-10(2)16(15-9)8-11-4-5-13(19-3)12(7-11)14(17)18/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 65339133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).