2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid

C11H9ClN2O2 — CID 105498355

IUPAC2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-2-7(4-9)11-8(5-10(15)16)6-13-14-11/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyCLRYIJCRGWSTQO-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.36
Rot. Bonds3

About 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid

2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid (PubChem CID 105498355) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
PubChem CID105498355
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1cn[nH]c1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-2-7(4-9)11-8(5-10(15)16)6-13-14-11/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyCLRYIJCRGWSTQO-UHFFFAOYSA-N
XLogP2.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79484478
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
CID 23005889
(3S)-1-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129470465
2-[[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methylamino]methyl]-2-ethylbutanoic acid
CID 122128901
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
1-[4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methylamino]phenyl]butan-1-one
CID 68724492
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484935
5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166396791
3-(5-phenyl-1H-pyrazol-4-yl)propanamide
CID 121212688
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid (CID 105498355) is 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid is O=C(O)Cc1cn[nH]c1-c1cccc(Cl)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid?
The InChIKey is CLRYIJCRGWSTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-3-1-2-7(4-9)11-8(5-10(15)16)6-13-14-11/h1-4,6H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid?
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid has a molecular weight of 236.66 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]acetic acid is sourced from PubChem (CID 105498355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).