2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid

C16H16ClN3O3 — CID 120517696

IUPAC2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c1-10-7-14(16(23)19(9-15(21)22)12-5-6-12)18-20(10)13-4-2-3-11(17)8-13/h2-4,7-8,12H,5-6,9H2,1H3,(H,21,22)
InChIKeyJKGWGRRFXOJETQ-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.52
Rot. Bonds5

About 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid

2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid (PubChem CID 120517696) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
PubChem CID120517696
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c1-10-7-14(16(23)19(9-15(21)22)12-5-6-12)18-20(10)13-4-2-3-11(17)8-13/h2-4,7-8,12H,5-6,9H2,1H3,(H,21,22)
InChIKeyJKGWGRRFXOJETQ-UHFFFAOYSA-N
XLogP2.52
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid (CID 120517696) is 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CC2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
The InChIKey is JKGWGRRFXOJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-7-14(16(23)19(9-15(21)22)12-5-6-12)18-20(10)13-4-2-3-11(17)8-13/h2-4,7-8,12H,5-6,9H2,1H3,(H,21,22).
What are the key properties of 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid?
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid has a molecular weight of 333.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 120517696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).