1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid

C14H16N2O4 — CID 117124282

IUPAC1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C(C)C)nn1-c1ccc(O)cc1
InChIInChI=1S/C14H16N2O4/c1-8(2)12-11(14(18)19)13(20-3)16(15-12)9-4-6-10(17)7-5-9/h4-8,17H,1-3H3,(H,18,19)
InChIKeyCWNXOQWLCNIUKA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.41
Rot. Bonds4

About 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid

1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 117124282) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID117124282
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C(C)C)nn1-c1ccc(O)cc1
InChIInChI=1S/C14H16N2O4/c1-8(2)12-11(14(18)19)13(20-3)16(15-12)9-4-6-10(17)7-5-9/h4-8,17H,1-3H3,(H,18,19)
InChIKeyCWNXOQWLCNIUKA-UHFFFAOYSA-N
XLogP2.41
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
3-(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117123727
3-[1-(4-fluorophenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117124339
(5-methoxy-1-phenyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 117123429
5-chloro-1-(2-methoxyphenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63033151
5-chloro-1-(2-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylic acid
CID 43381542
1-(3,4-dichlorophenyl)-5-ethyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 42819828
1-(3-chlorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117123962
5-chloro-3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 55158417
1-(4-hydroxyphenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362040
1-(4-chlorophenyl)-4-methyl-3-propan-2-ylpyrazole-5-carboxylic acid
CID 22831922
3-[1-(2-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazol-4-yl]propanoic acid
CID 117123755

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid (CID 117124282) is 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid is COc1c(C(=O)O)c(C(C)C)nn1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is CWNXOQWLCNIUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(2)12-11(14(18)19)13(20-3)16(15-12)9-4-6-10(17)7-5-9/h4-8,17H,1-3H3,(H,18,19).
What are the key properties of 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid?
1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-methoxy-3-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 117124282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).