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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Related Compounds

(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
CID 28872424
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 103573426
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
2-[4-[(2-chloro-4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 106865290
2-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 66435835
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66434088
2-[(2R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-6-methylpyridin-4-amine
CID 124982771
2-[4-[(2-bromo-5-methoxyphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433098
2-[4-(2-phenylethyl)morpholin-2-yl]acetic acid
CID 66436018
(2S)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 95851733
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434488

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).