4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid

C12H17N3O4 — CID 119239685

IUPAC4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCOC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H17N3O4/c1-2-3-8-6-9(14-13-8)11(16)15-4-5-19-10(7-15)12(17)18/h6,10H,2-5,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyRBBLLJUABRNXQB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.29
Rot. Bonds4

About 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid

4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119239685) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID119239685
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCOC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H17N3O4/c1-2-3-8-6-9(14-13-8)11(16)15-4-5-19-10(7-15)12(17)18/h6,10H,2-5,7H2,1H3,(H,13,14)(H,17,18)
InChIKeyRBBLLJUABRNXQB-UHFFFAOYSA-N
XLogP0.29
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 124681565
4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 119239257
(2R)-4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 129415638
(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818111
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 134705585
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95893616
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
2-methyl-4-[(3S)-1-(5-propyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696802

Frequently Asked Questions

What is the IUPAC name of 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid (CID 119239685) is 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid is CCCc1cc(C(=O)N2CCOC(C(=O)O)C2)n[nH]1.
What is the InChIKey of 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is RBBLLJUABRNXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-8-6-9(14-13-8)11(16)15-4-5-19-10(7-15)12(17)18/h6,10H,2-5,7H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid?
4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propyl-1H-pyrazole-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).