2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid

C19H18N2O2 — CID 10614604

IUPAC2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
SMILESCCc1c(CC(=O)O)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-16-17(13-18(22)23)20-21(15-11-7-4-8-12-15)19(16)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyQFSUFPDPGDITOX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid

2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid (PubChem CID 10614604) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
PubChem CID10614604
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid
SMILESCCc1c(CC(=O)O)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-2-16-17(13-18(22)23)20-21(15-11-7-4-8-12-15)19(16)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyQFSUFPDPGDITOX-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethoxy-2-oxoethyl)-1,5-diphenylpyrazole-3-carboxylic acid
CID 59581391
(4-methyl-1,5-diphenylpyrazol-3-yl)methanol
CID 22832035
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
2-[1-(3,4-dimethylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542757
4-(4-ethyl-1,5-diphenylpyrazol-3-yl)piperidine
CID 177339507
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
4-ethyl-2-methyl-1,5-diphenylpyrazol-2-ium-3-carboxylic acid
CID 166436938
2-[5-(furan-2-yl)-1,3-diphenylpyrazol-4-yl]acetic acid
CID 555892
4-ethyl-1-methyl-5-phenylpyrazole-3-carboxylic acid
CID 105488015
2-(5-phenyl-1-propyltriazol-4-yl)acetic acid
CID 82205190
N-hydroxy-3-(1,3,5-triphenylpyrazol-4-yl)propanamide
CID 155384804

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid?
The IUPAC name of 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid (CID 10614604) is 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid?
The canonical SMILES for 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid is CCc1c(CC(=O)O)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid?
The InChIKey is QFSUFPDPGDITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-16-17(13-18(22)23)20-21(15-11-7-4-8-12-15)19(16)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,22,23).
What are the key properties of 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid?
2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid has a molecular weight of 306.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,5-diphenylpyrazol-3-yl)acetic acid is sourced from PubChem (CID 10614604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).