4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid

C12H12N2O4 — CID 117232672

IUPAC4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
SMILESCOc1ccccc1Cn1ncc(O)c1C(=O)O
InChIInChI=1S/C12H12N2O4/c1-18-10-5-3-2-4-8(10)7-14-11(12(16)17)9(15)6-13-14/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyIJKNWYBQPNISGI-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.34
Rot. Bonds4

About 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid

4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid (PubChem CID 117232672) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
PubChem CID117232672
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
SMILESCOc1ccccc1Cn1ncc(O)c1C(=O)O
InChIInChI=1S/C12H12N2O4/c1-18-10-5-3-2-4-8(10)7-14-11(12(16)17)9(15)6-13-14/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyIJKNWYBQPNISGI-UHFFFAOYSA-N
XLogP1.34
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
1-[(2-methoxyphenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541602
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylic acid
CID 22309095
5-amino-1-[(2-hydroxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 115069637
3-[5-methoxy-1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 115069281
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
4-bromo-2-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol;oxalic acid
CID 17367362
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-methoxyphenyl)ethanone
CID 114639397
1-[(2-methoxyphenyl)methyl]-3,5-dimethylpyrazole
CID 63810139
2-[2-(2-methoxyphenyl)ethylsulfanyl]acetic acid
CID 94768509
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid (CID 117232672) is 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid is COc1ccccc1Cn1ncc(O)c1C(=O)O.
What is the InChIKey of 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is IJKNWYBQPNISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-18-10-5-3-2-4-8(10)7-14-11(12(16)17)9(15)6-13-14/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid?
4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).