(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid

C12H17N3O4 — CID 124681565

IUPAC(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H17N3O4/c1-7(2)8-5-9(14-13-8)11(16)15-3-4-19-10(6-15)12(17)18/h5,7,10H,3-4,6H2,1-2H3,(H,13,14)(H,17,18)/t10-/m1/s1
InChIKeySBZSIAXPXGFEBZ-SNVBAGLBSA-N
MW267.29 g/mol
LogP0.46
Rot. Bonds3

About (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124681565) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID124681565
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H17N3O4/c1-7(2)8-5-9(14-13-8)11(16)15-3-4-19-10(6-15)12(17)18/h5,7,10H,3-4,6H2,1-2H3,(H,13,14)(H,17,18)/t10-/m1/s1
InChIKeySBZSIAXPXGFEBZ-SNVBAGLBSA-N
XLogP0.46
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
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4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
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piperazin-1-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 82509447
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1-propan-2-yl-3-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]urea
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[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
2-cyclohexyl-2-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 166351832
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid (CID 124681565) is (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid is CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)n[nH]1.
What is the InChIKey of (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is SBZSIAXPXGFEBZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)8-5-9(14-13-8)11(16)15-3-4-19-10(6-15)12(17)18/h5,7,10H,3-4,6H2,1-2H3,(H,13,14)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124681565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).