2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid

C14H16ClN3O2 — CID 115990145

IUPAC2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
SMILESCCc1nn(C)cc1C(Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H16ClN3O2/c1-3-11-9(8-18(2)17-11)13(14(19)20)16-12-7-5-4-6-10(12)15/h4-8,13,16H,3H2,1-2H3,(H,19,20)
InChIKeyYOEUPQKWCBRJBK-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid

2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid (PubChem CID 115990145) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
PubChem CID115990145
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
SMILESCCc1nn(C)cc1C(Nc1ccccc1Cl)C(=O)O
InChIInChI=1S/C14H16ClN3O2/c1-3-11-9(8-18(2)17-11)13(14(19)20)16-12-7-5-4-6-10(12)15/h4-8,13,16H,3H2,1-2H3,(H,19,20)
InChIKeyYOEUPQKWCBRJBK-UHFFFAOYSA-N
XLogP2.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
N-(2-chlorophenyl)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]acetamide
CID 115989688
2-(2-chloroanilino)-2-(2-ethylphenyl)acetamide
CID 62416652
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
2-(2-chloroanilino)-2-(2,4-dimethylphenyl)acetic acid
CID 60991251
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 103955761
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
4-(3-ethyl-1-methylpyrazol-4-yl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 112670850
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 115990096
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid (CID 115990145) is 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid is CCc1nn(C)cc1C(Nc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
The InChIKey is YOEUPQKWCBRJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-11-9(8-18(2)17-11)13(14(19)20)16-12-7-5-4-6-10(12)15/h4-8,13,16H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid has a molecular weight of 293.75 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115990145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).