3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid

C11H15N3O4 — CID 19623576

IUPAC3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C11H15N3O4/c15-10(16)2-4-14-3-1-9(12-14)11(17)13-5-7-18-8-6-13/h1,3H,2,4-8H2,(H,15,16)
InChIKeyRZVOHWWODSAGEX-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.17
Rot. Bonds4

About 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid

3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid (PubChem CID 19623576) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
PubChem CID19623576
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C11H15N3O4/c15-10(16)2-4-14-3-1-9(12-14)11(17)13-5-7-18-8-6-13/h1,3H,2,4-8H2,(H,15,16)
InChIKeyRZVOHWWODSAGEX-UHFFFAOYSA-N
XLogP-0.17
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19470426
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 154882392
[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
[1-(4-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475319
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
(1-ethylpyrazol-3-yl)-[(2S)-2-methyl-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methanone
CID 92632361
3-(3-aminopyrazol-1-yl)propanoic acid;hydrochloride
CID 90482953
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 35325173
4-[[(6S)-4-(1-propylpyrazole-3-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-6-one
CID 137149661
[1-(3-aminophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 43475408

Frequently Asked Questions

What is the IUPAC name of 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid (CID 19623576) is 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1ccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid?
The InChIKey is RZVOHWWODSAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(16)2-4-14-3-1-9(12-14)11(17)13-5-7-18-8-6-13/h1,3H,2,4-8H2,(H,15,16).
What are the key properties of 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid?
3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).