4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid

C14H21N3O4 — CID 120526129

IUPAC4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCOC(C(=O)O)C2)cnn1CC(C)C
InChIInChI=1S/C14H21N3O4/c1-9(2)7-17-10(3)11(6-15-17)13(18)16-4-5-21-12(8-16)14(19)20/h6,9,12H,4-5,7-8H2,1-3H3,(H,19,20)
InChIKeyJPDOEDJDPLUHQW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.77
Rot. Bonds4

About 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid

4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 120526129) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID120526129
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCOC(C(=O)O)C2)cnn1CC(C)C
InChIInChI=1S/C14H21N3O4/c1-9(2)7-17-10(3)11(6-15-17)13(18)16-4-5-21-12(8-16)14(19)20/h6,9,12H,4-5,7-8H2,1-3H3,(H,19,20)
InChIKeyJPDOEDJDPLUHQW-UHFFFAOYSA-N
XLogP0.77
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
(2R)-4-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153148
4-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239314
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
4-(5-cyclopropyl-1-methylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119357867
4-[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119238830
(2R)-4-(4-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxylic acid
CID 125118699
(3S,4S)-4-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 122112047
5-methyl-1-[5-methyl-1-(3-methylbutyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122117136
[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129000821
4-(3-ethyl-6-methylpyridazine-4-carbonyl)morpholine-2-carboxylic acid
CID 104669564

Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid (CID 120526129) is 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid is Cc1c(C(=O)N2CCOC(C(=O)O)C2)cnn1CC(C)C.
What is the InChIKey of 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is JPDOEDJDPLUHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(2)7-17-10(3)11(6-15-17)13(18)16-4-5-21-12(8-16)14(19)20/h6,9,12H,4-5,7-8H2,1-3H3,(H,19,20).
What are the key properties of 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 120526129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).