2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid

C13H12N2O5 — CID 97455871

IUPAC2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc([C@H](C(=O)O)n2nccc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O5/c1-20-9-4-2-8(3-5-9)11(13(18)19)15-10(12(16)17)6-7-14-15/h2-7,11H,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyYURLUOCPRDGMNA-LLVKDONJSA-N
MW276.25 g/mol
LogP1.26
Rot. Bonds5

About 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid

2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid (PubChem CID 97455871) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
PubChem CID97455871
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
SMILESCOc1ccc([C@H](C(=O)O)n2nccc2C(=O)O)cc1
InChIInChI=1S/C13H12N2O5/c1-20-9-4-2-8(3-5-9)11(13(18)19)15-10(12(16)17)6-7-14-15/h2-7,11H,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyYURLUOCPRDGMNA-LLVKDONJSA-N
XLogP1.26
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
CID 51596087
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168698845
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
3-fluoro-2-(4-methoxyphenyl)propanoic acid
CID 20555403
3-[carboxy(phenyl)methyl]triazole-4-carboxylic acid
CID 82212019
(2-fluoro-4-methoxyphenyl)-(2-propan-2-ylpyrazol-3-yl)methanone
CID 114197549
2-(6-methoxynaphthalen-2-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 70916227

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid (CID 97455871) is 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid is COc1ccc([C@H](C(=O)O)n2nccc2C(=O)O)cc1.
What is the InChIKey of 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is YURLUOCPRDGMNA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-20-9-4-2-8(3-5-9)11(13(18)19)15-10(12(16)17)6-7-14-15/h2-7,11H,1H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid?
2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 276.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 97455871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).