2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid

C14H21N3O4 — CID 56883277

IUPAC2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H21N3O4/c1-9-12(10(2)16-15-9)3-4-13(18)17-5-6-21-8-11(17)7-14(19)20/h11H,3-8H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyJYYFOBWIZYYNOO-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.66
Rot. Bonds5

About 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid

2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid (PubChem CID 56883277) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid
PubChem CID56883277
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H21N3O4/c1-9-12(10(2)16-15-9)3-4-13(18)17-5-6-21-8-11(17)7-14(19)20/h11H,3-8H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyJYYFOBWIZYYNOO-UHFFFAOYSA-N
XLogP0.66
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid (CID 56883277) is 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid is Cc1n[nH]c(C)c1CCC(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid?
The InChIKey is JYYFOBWIZYYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-12(10(2)16-15-9)3-4-13(18)17-5-6-21-8-11(17)7-14(19)20/h11H,3-8H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid?
2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56883277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).