2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid

C15H17ClN2O2 — CID 79220424

IUPAC2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
SMILESCCc1nn(-c2ccccc2Cl)c(CC)c1CC(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-3-12-10(9-15(19)20)13(4-2)18(17-12)14-8-6-5-7-11(14)16/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyPTQVQZFDARYIBI-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.28
Rot. Bonds5

About 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid

2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid (PubChem CID 79220424) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
PubChem CID79220424
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
SMILESCCc1nn(-c2ccccc2Cl)c(CC)c1CC(=O)O
InChIInChI=1S/C15H17ClN2O2/c1-3-12-10(9-15(19)20)13(4-2)18(17-12)14-8-6-5-7-11(14)16/h5-8H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyPTQVQZFDARYIBI-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 107431053
2-[1-(4-bromo-2-methylphenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 104508500
2-[1-(2,4-difluorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79220410
2-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)acetic acid
CID 79218684
2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79826609
5-chloro-1-(2-chlorophenyl)-3-propylpyrazole-4-carboxylic acid
CID 43381541
2-[2-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]acetic acid
CID 98022813
1-(2,4-dichlorophenyl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430854
2-[1-[(4-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219433
2-[1-[(4-benzylsulfinylphenyl)methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 58071720
methyl 2-[1-(4-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetate
CID 79220409
5-chloro-1-(3-chloro-2-methylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82362448

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid (CID 79220424) is 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid is CCc1nn(-c2ccccc2Cl)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid?
The InChIKey is PTQVQZFDARYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-12-10(9-15(19)20)13(4-2)18(17-12)14-8-6-5-7-11(14)16/h5-8H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid?
2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid has a molecular weight of 292.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3,5-diethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 79220424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).