4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid

C13H17N3O4 — CID 119357867

IUPAC4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCn1ncc(C(=O)N2CCOC(C(=O)O)C2)c1C1CC1
InChIInChI=1S/C13H17N3O4/c1-15-11(8-2-3-8)9(6-14-15)12(17)16-4-5-20-10(7-16)13(18)19/h6,8,10H,2-5,7H2,1H3,(H,18,19)
InChIKeyWGNJEFQKTWHVLZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.22
Rot. Bonds3

About 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid

4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119357867) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
PubChem CID119357867
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
SMILESCn1ncc(C(=O)N2CCOC(C(=O)O)C2)c1C1CC1
InChIInChI=1S/C13H17N3O4/c1-15-11(8-2-3-8)9(6-14-15)12(17)16-4-5-20-10(7-16)13(18)19/h6,8,10H,2-5,7H2,1H3,(H,18,19)
InChIKeyWGNJEFQKTWHVLZ-UHFFFAOYSA-N
XLogP0.22
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-cyclopropyl-1-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120979141
4-(3-ethyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 102810153
(2S)-4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 126454534
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526129
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
(5-cyclopropyl-1-methylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995300
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129483705
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120805504
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid (CID 119357867) is 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid is Cn1ncc(C(=O)N2CCOC(C(=O)O)C2)c1C1CC1.
What is the InChIKey of 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is WGNJEFQKTWHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-15-11(8-2-3-8)9(6-14-15)12(17)16-4-5-20-10(7-16)13(18)19/h6,8,10H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid?
4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119357867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).