2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid

C14H15ClN2O2 — CID 79440235

IUPAC2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
SMILESCCn1cc(CC(C(=O)O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-9-10(8-16-17)7-13(14(18)19)11-3-5-12(15)6-4-11/h3-6,8-9,13H,2,7H2,1H3,(H,18,19)
InChIKeyYMPRJYUUEZWOIN-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid

2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid (PubChem CID 79440235) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
PubChem CID79440235
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
SMILESCCn1cc(CC(C(=O)O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H15ClN2O2/c1-2-17-9-10(8-16-17)7-13(14(18)19)11-3-5-12(15)6-4-11/h3-6,8-9,13H,2,7H2,1H3,(H,18,19)
InChIKeyYMPRJYUUEZWOIN-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
CID 79436089
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 166236553
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-ethylpyrazol-4-yl)-2-oxoacetamide
CID 110004340
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propanoic acid
CID 79430519
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
CID 103570661
3-(N-ethylanilino)-2-[(1-ethylpyrazol-4-yl)methyl]-3-oxopropanoic acid
CID 68508814
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid (CID 79440235) is 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid is CCn1cc(CC(C(=O)O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid?
The InChIKey is YMPRJYUUEZWOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-17-9-10(8-16-17)7-13(14(18)19)11-3-5-12(15)6-4-11/h3-6,8-9,13H,2,7H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid?
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid has a molecular weight of 278.74 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 79440235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).