2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid

C15H16ClN3O3 — CID 120519872

IUPAC2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1nn(-c2ccccc2Cl)cc1C
InChIInChI=1S/C15H16ClN3O3/c1-3-18(9-13(20)21)15(22)14-10(2)8-19(17-14)12-7-5-4-6-11(12)16/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeySEEQARZDCDKPOO-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.38
Rot. Bonds5

About 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid

2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid (PubChem CID 120519872) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
PubChem CID120519872
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1nn(-c2ccccc2Cl)cc1C
InChIInChI=1S/C15H16ClN3O3/c1-3-18(9-13(20)21)15(22)14-10(2)8-19(17-14)12-7-5-4-6-11(12)16/h4-8H,3,9H2,1-2H3,(H,20,21)
InChIKeySEEQARZDCDKPOO-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517700
1-(2-chlorophenyl)-N-(cyclopropylmethyl)-4-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 99608516
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513335
[(2S)-1-acetamidopropan-2-yl] 1-(2-chlorophenyl)-4-methylpyrazole-3-carboxylate
CID 97252014
1-(2-chlorophenyl)-4-(hydroxymethyl)pyrazole-3-carboxylic acid
CID 82131774
1-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-4-methylpyrazole-3-carboxamide
CID 97331187
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 120521274
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 126767010
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
N-[[1-[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 126792461
1-(2-chloro-5-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 107626269

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid (CID 120519872) is 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1nn(-c2ccccc2Cl)cc1C.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid?
The InChIKey is SEEQARZDCDKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-3-18(9-13(20)21)15(22)14-10(2)8-19(17-14)12-7-5-4-6-11(12)16/h4-8H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid?
2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid has a molecular weight of 321.76 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-4-methylpyrazole-3-carbonyl]-ethylamino]acetic acid is sourced from PubChem (CID 120519872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).