4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid

C18H14N2O5 — CID 25494865

IUPAC4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(=O)O)cc3)c2)c1
InChIInChI=1S/C18H14N2O5/c1-25-14-6-7-16(21)15(8-14)17(22)12-9-19-20(10-12)13-4-2-11(3-5-13)18(23)24/h2-10,21H,1H3,(H,23,24)
InChIKeyRGCFFRLPSHQZRV-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.52
Rot. Bonds5

About 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid

4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid (PubChem CID 25494865) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid
PubChem CID25494865
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC Name4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(=O)O)cc3)c2)c1
InChIInChI=1S/C18H14N2O5/c1-25-14-6-7-16(21)15(8-14)17(22)12-9-19-20(10-12)13-4-2-11(3-5-13)18(23)24/h2-10,21H,1H3,(H,23,24)
InChIKeyRGCFFRLPSHQZRV-UHFFFAOYSA-N
XLogP2.52
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxy-5-propan-2-yloxyphenyl)-[1-(3-methoxyphenyl)pyrazol-4-yl]methanone
CID 42882744
(2-hydroxy-5-propan-2-ylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 902212
6-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 26480326
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986
[1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 94812859
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
CID 116602543
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
(2,5-dimethylfuran-3-yl)-(1-phenylpyrazol-4-yl)methanone
CID 43463435
(2-hydroxy-5-methoxyphenyl)-(4-iodophenyl)methanone;4-iodobenzoyl chloride
CID 87794308

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid (CID 25494865) is 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid is COc1ccc(O)c(C(=O)c2cnn(-c3ccc(C(=O)O)cc3)c2)c1.
What is the InChIKey of 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid?
The InChIKey is RGCFFRLPSHQZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-25-14-6-7-16(21)15(8-14)17(22)12-9-19-20(10-12)13-4-2-11(3-5-13)18(23)24/h2-10,21H,1H3,(H,23,24).
What are the key properties of 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid?
4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid has a molecular weight of 338.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-5-methoxybenzoyl)pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 25494865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).