2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid

C13H19N3O4 — CID 65157325

IUPAC2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1OC(C)C(C(=O)Nc2cnn(CC(=O)O)c2)C1C
InChIInChI=1S/C13H19N3O4/c1-7-8(2)20-9(3)12(7)13(19)15-10-4-14-16(5-10)6-11(17)18/h4-5,7-9,12H,6H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyACFYPEDYAGVCMI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.97
Rot. Bonds4

About 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 65157325) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID65157325
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC1OC(C)C(C(=O)Nc2cnn(CC(=O)O)c2)C1C
InChIInChI=1S/C13H19N3O4/c1-7-8(2)20-9(3)12(7)13(19)15-10-4-14-16(5-10)6-11(17)18/h4-5,7-9,12H,6H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyACFYPEDYAGVCMI-UHFFFAOYSA-N
XLogP0.97
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
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2-[4-[(4-methylpiperidine-2-carbonyl)amino]pyrazol-1-yl]acetic acid
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2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
2-[4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66370489
2-[4-[(6-oxopiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 83192588
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
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2-[4-[(2-methylpyrrolidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61207089
2-[4-(thiane-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 80594673
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 65157325) is 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid is CC1OC(C)C(C(=O)Nc2cnn(CC(=O)O)c2)C1C.
What is the InChIKey of 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is ACFYPEDYAGVCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-7-8(2)20-9(3)12(7)13(19)15-10-4-14-16(5-10)6-11(17)18/h4-5,7-9,12H,6H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 65157325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).