3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid

C12H19N3O3 — CID 79171673

IUPAC3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESCc1nn(CC2CN(C)CCO2)c(C)c1C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-11(12(16)17)9(2)15(13-8)7-10-6-14(3)4-5-18-10/h10H,4-7H2,1-3H3,(H,16,17)
InChIKeyJBPVXUBUOKGIBM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.53
Rot. Bonds3

About 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid

3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 79171673) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID79171673
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid
SMILESCc1nn(CC2CN(C)CCO2)c(C)c1C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8-11(12(16)17)9(2)15(13-8)7-10-6-14(3)4-5-18-10/h10H,4-7H2,1-3H3,(H,16,17)
InChIKeyJBPVXUBUOKGIBM-UHFFFAOYSA-N
XLogP0.53
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-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

3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxylic acid
CID 55065971
3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole-4-carboxylic acid
CID 103135255
2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79172170
2-[3,5-dimethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrazol-4-yl]acetic acid
CID 64534338
2-[(2S)-4-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124684475
(2S)-4-methyl-2-[(3-methyl-5-nitrosopyrazol-1-yl)methyl]morpholine
CID 166770798
1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 43807968
3-[(4-methylmorpholin-2-yl)methyl]benzotriazole-5-carboxylic acid
CID 82783737
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
4,6-dimethyl-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79089338
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazole-4-carboxylic acid
CID 105462921

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid (CID 79171673) is 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid is Cc1nn(CC2CN(C)CCO2)c(C)c1C(=O)O.
What is the InChIKey of 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is JBPVXUBUOKGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-11(12(16)17)9(2)15(13-8)7-10-6-14(3)4-5-18-10/h10H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid?
3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 79171673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).