2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid

C13H21N3O3 — CID 103573426

IUPAC2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
SMILESCCCn1cc(CN2CCOC(CC(=O)O)C2)cn1
InChIInChI=1S/C13H21N3O3/c1-2-3-16-9-11(7-14-16)8-15-4-5-19-12(10-15)6-13(17)18/h7,9,12H,2-6,8,10H2,1H3,(H,17,18)
InChIKeyWSDQQADTJQRNAH-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.97
Rot. Bonds6

About 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid

2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid (PubChem CID 103573426) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
PubChem CID103573426
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
SMILESCCCn1cc(CN2CCOC(CC(=O)O)C2)cn1
InChIInChI=1S/C13H21N3O3/c1-2-3-16-9-11(7-14-16)8-15-4-5-19-12(10-15)6-13(17)18/h7,9,12H,2-6,8,10H2,1H3,(H,17,18)
InChIKeyWSDQQADTJQRNAH-UHFFFAOYSA-N
XLogP0.97
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140068
4-[2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844775
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid
CID 79596226
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
3-[4-[[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]pyrazol-1-yl]propanoic acid
CID 99933636
2-(5-methyl-2-pyridinyl)-4-[(1-propylpyrazol-4-yl)methyl]morpholine
CID 127245697
(2S)-4-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-2-ylmorpholine
CID 124941629
2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66434088
N-methyl-3-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110113016
2-[4-(1-ethylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 119248465
2-[4-[(4-nitrophenyl)methyl]morpholin-2-yl]acetic acid
CID 66435040
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-2-yl]acetic acid
CID 66433927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid (CID 103573426) is 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid is CCCn1cc(CN2CCOC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
The InChIKey is WSDQQADTJQRNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-16-9-11(7-14-16)8-15-4-5-19-12(10-15)6-13(17)18/h7,9,12H,2-6,8,10H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid?
2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 103573426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).