4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid

C14H23N3O3 — CID 122560972

IUPAC4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid
SMILESCc1nn(C(C)C)c(C)c1CN1CCOC(C(=O)O)C1
InChIInChI=1S/C14H23N3O3/c1-9(2)17-11(4)12(10(3)15-17)7-16-5-6-20-13(8-16)14(18)19/h9,13H,5-8H2,1-4H3,(H,18,19)
InChIKeyYESOCEYVGPCAPV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.37
Rot. Bonds4

About 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid

4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 122560972) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid
PubChem CID122560972
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid
SMILESCc1nn(C(C)C)c(C)c1CN1CCOC(C(=O)O)C1
InChIInChI=1S/C14H23N3O3/c1-9(2)17-11(4)12(10(3)15-17)7-16-5-6-20-13(8-16)14(18)19/h9,13H,5-8H2,1-4H3,(H,18,19)
InChIKeyYESOCEYVGPCAPV-UHFFFAOYSA-N
XLogP1.37
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,4,5-trimethylimidazol-2-yl)methyl]morpholine-2-carboxylic acid
CID 122570187
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
6-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(5-fluoro-2-pyridinyl)pyridin-2-amine
CID 124967652
(2R)-4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153148
4-[(5-methyl-3-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 102877444
2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638819
N-[6-[4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholin-2-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 127249203
2-[(2R)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51901627
4-(2-methylpentyl)morpholine-2-carboxylic acid
CID 62266429
4-[(3-propylimidazol-4-yl)methyl]morpholine-2-carboxylic acid
CID 66129464
(3aR,7aS)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138383936
[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45245584

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid (CID 122560972) is 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid is Cc1nn(C(C)C)c(C)c1CN1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is YESOCEYVGPCAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)17-11(4)12(10(3)15-17)7-16-5-6-20-13(8-16)14(18)19/h9,13H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid?
4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 122560972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).