[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate

C14H16ClN3O3S — CID 7146361

IUPAC[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3O3S/c1-8(2)18-12(6-7-16-18)17-13(19)9(3)21-14(20)10-4-5-11(15)22-10/h4-9H,1-3H3,(H,17,19)/t9-/m1/s1
InChIKeyUSYLUIKIEPGJGP-SECBINFHSA-N
MW341.82 g/mol
LogP3.36
Rot. Bonds5

About [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate

[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate (PubChem CID 7146361) has the molecular formula C14H16ClN3O3S and a molecular weight of 341.82 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate
PubChem CID7146361
Molecular FormulaC14H16ClN3O3S
Molecular Weight341.82 g/mol
Exact Mass341.06
IUPAC Name[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate
SMILESCC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3O3S/c1-8(2)18-12(6-7-16-18)17-13(19)9(3)21-14(20)10-4-5-11(15)22-10/h4-9H,1-3H3,(H,17,19)/t9-/m1/s1
InChIKeyUSYLUIKIEPGJGP-SECBINFHSA-N
XLogP3.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775497
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-chlorobenzoate
CID 7775496
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 1-benzothiophene-2-carboxylate
CID 8508432
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chloro-2-hydroxybenzoate
CID 8604097
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 31402919
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 47004079
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylsulfanylbenzoate
CID 8507281
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-methylsulfanylbenzoate
CID 8507283
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146722
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7792051
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 4-benzoylbenzoate
CID 7203676
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] pyrazine-2-carboxylate
CID 7985439

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate (CID 7146361) is [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate is CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)s1.
What is the InChIKey of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate?
The InChIKey is USYLUIKIEPGJGP-SECBINFHSA-N. The full InChI is InChI=1S/C14H16ClN3O3S/c1-8(2)18-12(6-7-16-18)17-13(19)9(3)21-14(20)10-4-5-11(15)22-10/h4-9H,1-3H3,(H,17,19)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate?
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate has a molecular weight of 341.82 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 7146361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).