5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid

C15H19N3O3S — CID 91953257

IUPAC5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid
SMILESCC(C)n1nccc1NC(=O)CC(CC(=O)O)c1cccs1
InChIInChI=1S/C15H19N3O3S/c1-10(2)18-13(5-6-16-18)17-14(19)8-11(9-15(20)21)12-4-3-7-22-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFTUIQLQFGGCEHD-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.11
Rot. Bonds7

About 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid

5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid (PubChem CID 91953257) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid
PubChem CID91953257
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid
SMILESCC(C)n1nccc1NC(=O)CC(CC(=O)O)c1cccs1
InChIInChI=1S/C15H19N3O3S/c1-10(2)18-13(5-6-16-18)17-14(19)8-11(9-15(20)21)12-4-3-7-22-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyFTUIQLQFGGCEHD-UHFFFAOYSA-N
XLogP3.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 82128267
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
5-oxo-5-(3-pyrazol-1-ylpropylamino)-3-thiophen-2-ylpentanoic acid
CID 91953225
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
3-acetamido-N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-3-thiophen-2-ylpropanamide
CID 42932035
2-(2-oxo-1-pyridinyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47106513
2-[tert-butyl-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]amino]acetic acid
CID 79263256
5-oxo-5-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]anilino]-3-thiophen-2-ylpentanoic acid
CID 71798241
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
5-[3-(2-methylimidazol-1-yl)propylamino]-5-oxo-3-thiophen-2-ylpentanoic acid
CID 91953270
2-methyl-2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpropanoic acid
CID 81223688

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid?
The IUPAC name of 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid (CID 91953257) is 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid?
The canonical SMILES for 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid is CC(C)n1nccc1NC(=O)CC(CC(=O)O)c1cccs1.
What is the InChIKey of 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid?
The InChIKey is FTUIQLQFGGCEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(2)18-13(5-6-16-18)17-14(19)8-11(9-15(20)21)12-4-3-7-22-12/h3-7,10-11H,8-9H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid?
5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid has a molecular weight of 321.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(2-propan-2-ylpyrazol-3-yl)amino]-3-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 91953257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).