1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid

C14H22N2O4 — CID 59984584

IUPAC1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n(CCOC2CCCCO2)n1
InChIInChI=1S/C14H22N2O4/c1-10(2)11-9-12(14(17)18)16(15-11)6-8-20-13-5-3-4-7-19-13/h9-10,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyHPZDPUBJNHBHHU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.25
Rot. Bonds6

About 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid

1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid (PubChem CID 59984584) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
PubChem CID59984584
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)n(CCOC2CCCCO2)n1
InChIInChI=1S/C14H22N2O4/c1-10(2)11-9-12(14(17)18)16(15-11)6-8-20-13-5-3-4-7-19-13/h9-10,13H,3-8H2,1-2H3,(H,17,18)
InChIKeyHPZDPUBJNHBHHU-UHFFFAOYSA-N
XLogP2.25
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-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

ethyl 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylate
CID 59984579
methyl 1-[2-(oxan-2-yloxy)ethyl]-5-propan-2-yltriazole-4-carboxylate
CID 102643841
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
ethyl 3-(4-cyanophenyl)-1-[2-(oxan-2-yloxy)ethyl]pyrazole-5-carboxylate
CID 58610218
2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
CID 61369660
1-(1,5-dimethylimidazol-4-yl)-4-(oxan-2-yloxy)butan-1-one
CID 59725815
2-[2-(oxan-2-yloxy)ethylsulfanyl]acetic acid
CID 61369469
1-[4-(oxan-2-yloxy)butyl]pyrrolidin-2-one
CID 10977596
ethyl 2-[3-(oxan-2-yloxy)propyl]pyrazole-3-carboxylate
CID 166889045
1-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]propan-1-ol
CID 113482722
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
CID 164633078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid?
The IUPAC name of 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid (CID 59984584) is 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid is CC(C)c1cc(C(=O)O)n(CCOC2CCCCO2)n1.
What is the InChIKey of 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid?
The InChIKey is HPZDPUBJNHBHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(2)11-9-12(14(17)18)16(15-11)6-8-20-13-5-3-4-7-19-13/h9-10,13H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid?
1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-2-yloxy)ethyl]-3-propan-2-ylpyrazole-5-carboxylic acid is sourced from PubChem (CID 59984584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).