2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid

C18H16N2O3 — CID 135132869

IUPAC2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid
SMILESCOCn1nc(-c2ccccc2C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-23-12-20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18(21)22/h2-11H,12H2,1H3,(H,21,22)
InChIKeyISAYNURTFILXCR-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.52
Rot. Bonds5

About 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid

2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid (PubChem CID 135132869) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid
PubChem CID135132869
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid
SMILESCOCn1nc(-c2ccccc2C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-23-12-20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18(21)22/h2-11H,12H2,1H3,(H,21,22)
InChIKeyISAYNURTFILXCR-UHFFFAOYSA-N
XLogP3.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbamoyl-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
CID 140879217
3-cyano-2-[5-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
CID 135132616
2-[3-(4-fluorophenyl)-1-(methoxymethyl)pyrazol-5-yl]-3-(methoxymethoxymethyl)benzoic acid
CID 135132873
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-[4-ethenyl-1-(methoxymethyl)pyrazol-3-yl]benzoic acid
CID 134608055
2-[4-(2-methoxyethyl)phenyl]benzoic acid
CID 61025269
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one
CID 11149580
acetylene;2-phenylbenzoic acid
CID 67726329
2-(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565577
2-[1-(methoxymethyl)-3-phenylpyrazol-5-yl]-3-phenylmethoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 140879386
3-(1-benzyl-5-phenylpyrazol-3-yl)-4-(2-methylpropoxy)benzoic acid
CID 110076737
1-benzyl-3-(1-benzyl-5-phenylpyrazol-3-yl)-5-phenylpyrazole
CID 84820888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid?
The IUPAC name of 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid (CID 135132869) is 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid.
What is the SMILES notation for 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid?
The canonical SMILES for 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid is COCn1nc(-c2ccccc2C(=O)O)cc1-c1ccccc1.
What is the InChIKey of 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid?
The InChIKey is ISAYNURTFILXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-12-20-17(13-7-3-2-4-8-13)11-16(19-20)14-9-5-6-10-15(14)18(21)22/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid?
2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid has a molecular weight of 308.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxymethyl)-5-phenylpyrazol-3-yl]benzoic acid is sourced from PubChem (CID 135132869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).