2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid

C15H16ClN3O4 — CID 170188201

IUPAC2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid
SMILESCCc1cccc(Cl)c1NC(=O)OC(Cn1cccn1)C(=O)O
InChIInChI=1S/C15H16ClN3O4/c1-2-10-5-3-6-11(16)13(10)18-15(22)23-12(14(20)21)9-19-8-4-7-17-19/h3-8,12H,2,9H2,1H3,(H,18,22)(H,20,21)
InChIKeyLSAYAUGJQIGZCE-UHFFFAOYSA-N
MW337.76 g/mol
LogP2.80
Rot. Bonds6

About 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid

2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid (PubChem CID 170188201) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid
PubChem CID170188201
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid
SMILESCCc1cccc(Cl)c1NC(=O)OC(Cn1cccn1)C(=O)O
InChIInChI=1S/C15H16ClN3O4/c1-2-10-5-3-6-11(16)13(10)18-15(22)23-12(14(20)21)9-19-8-4-7-17-19/h3-8,12H,2,9H2,1H3,(H,18,22)(H,20,21)
InChIKeyLSAYAUGJQIGZCE-UHFFFAOYSA-N
XLogP2.80
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2-chloro-6-methylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoate
CID 150038070
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid
CID 137463301
ethyl 2-[(2,6-dimethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoate
CID 137462840
(2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrazol-1-ylpropanoic acid
CID 137463529
ethyl 2-[(3-chloro-2,6-difluorophenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoate
CID 150320487
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
2-[4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-2-methyl-4-oxobutan-2-yl]oxy-3-pyrazol-1-ylpropanoic acid;2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrazol-1-ylpropanoic acid
CID 175030196
N-(2,6-dichlorophenyl)-2-pyrazol-1-ylacetamide
CID 110690005
2-chloro-N-[2-ethyl-6-(trifluoromethoxy)phenyl]-3-pyrazol-1-ylpropanamide
CID 54489471
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
2-(phenylcarbamoyloxy)-3-(1,2,4-triazol-1-yl)propanoic acid
CID 175889219
(1Z)-1-[amino-(2-chloro-6-ethylanilino)methylidene]-2-methylguanidine
CID 20543814

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid?
The IUPAC name of 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid (CID 170188201) is 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid.
What is the SMILES notation for 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid?
The canonical SMILES for 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid is CCc1cccc(Cl)c1NC(=O)OC(Cn1cccn1)C(=O)O.
What is the InChIKey of 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid?
The InChIKey is LSAYAUGJQIGZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-2-10-5-3-6-11(16)13(10)18-15(22)23-12(14(20)21)9-19-8-4-7-17-19/h3-8,12H,2,9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid?
2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid has a molecular weight of 337.76 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-ethylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoic acid is sourced from PubChem (CID 170188201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).