4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

C15H25N3O3 — CID 114558026

IUPAC4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1ccnn1CCC)C1COCC1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-3-7-17(14-11-21-10-13(14)15(19)20)9-12-5-6-16-18(12)8-4-2/h5-6,13-14H,3-4,7-11H2,1-2H3,(H,19,20)
InChIKeyLFQPTMZGZQEGTN-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.60
Rot. Bonds8

About 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid

4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 114558026) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID114558026
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCN(Cc1ccnn1CCC)C1COCC1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-3-7-17(14-11-21-10-13(14)15(19)20)9-12-5-6-16-18(12)8-4-2/h5-6,13-14H,3-4,7-11H2,1-2H3,(H,19,20)
InChIKeyLFQPTMZGZQEGTN-UHFFFAOYSA-N
XLogP1.60
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 114558024
4-[propyl-[(2-propyl-1,2,4-triazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252286
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
4-[propyl-[(1-propyltetrazol-5-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66252684
4-[furan-3-ylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253874
4-[propyl(pyridin-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66252672
4-[(3-methyl-2-pyridinyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 115982215
4-[(1-ethylimidazol-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66251901
4-[(2-hydroxyphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66253097
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66252296
4-[(2-methylphenyl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254196
4-[(5-bromofuran-2-yl)methyl-propylamino]oxolane-3-carboxylic acid
CID 66254018

Frequently Asked Questions

What is the IUPAC name of 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (CID 114558026) is 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is CCCN(Cc1ccnn1CCC)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is LFQPTMZGZQEGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-7-17(14-11-21-10-13(14)15(19)20)9-12-5-6-16-18(12)8-4-2/h5-6,13-14H,3-4,7-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114558026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).