2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid

C12H19N3O3 — CID 79596226

IUPAC2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
SMILESCc1c(CN2CCOC(CC(=O)O)C2)cnn1C
InChIInChI=1S/C12H19N3O3/c1-9-10(6-13-14(9)2)7-15-3-4-18-11(8-15)5-12(16)17/h6,11H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyQPCKYKBNMUSRCE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.40
Rot. Bonds4

About 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid

2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid (PubChem CID 79596226) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
PubChem CID79596226
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
SMILESCc1c(CN2CCOC(CC(=O)O)C2)cnn1C
InChIInChI=1S/C12H19N3O3/c1-9-10(6-13-14(9)2)7-15-3-4-18-11(8-15)5-12(16)17/h6,11H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyQPCKYKBNMUSRCE-UHFFFAOYSA-N
XLogP0.40
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid (CID 79596226) is 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid is Cc1c(CN2CCOC(CC(=O)O)C2)cnn1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is QPCKYKBNMUSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9-10(6-13-14(9)2)7-15-3-4-18-11(8-15)5-12(16)17/h6,11H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 79596226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).