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

C15H16N2O4 — CID 67434499

IUPAC5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
SMILESCOC=Cc1c(C(=O)O)cnn1Cc1ccc(OC)cc1
InChIInChI=1S/C15H16N2O4/c1-20-8-7-14-13(15(18)19)9-16-17(14)10-11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKFTGCWHZNFMNAI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.26
Rot. Bonds6

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

5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid (PubChem CID 67434499) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
PubChem CID67434499
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid
SMILESCOC=Cc1c(C(=O)O)cnn1Cc1ccc(OC)cc1
InChIInChI=1S/C15H16N2O4/c1-20-8-7-14-13(15(18)19)9-16-17(14)10-11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyKFTGCWHZNFMNAI-UHFFFAOYSA-N
XLogP2.26
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25252382
(4-methoxyphenyl)methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 139504834
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
1-[(4-fluorophenyl)methyl]-5-methoxypyrazole-4-carboxylic acid
CID 115069336
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
6-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-b]pyrazine-5-carboxylic acid
CID 148527421
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
5-but-3-en-2-yl-1-[(4-methoxyphenyl)methyl]pyrazol-4-ol
CID 177454351
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
5-chloro-1-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 13436393

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid (CID 67434499) is 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid is COC=Cc1c(C(=O)O)cnn1Cc1ccc(OC)cc1.
What is the InChIKey of 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is KFTGCWHZNFMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-8-7-14-13(15(18)19)9-16-17(14)10-11-3-5-12(21-2)6-4-11/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid?
5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 67434499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).