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

C14H23N3O3 — CID 114558024

IUPAC4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCn1nccc1CN(CC)C1COCC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-3-7-17-11(5-6-15-17)8-16(4-2)13-10-20-9-12(13)14(18)19/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyBDSOUGWIJGBBED-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.21
Rot. Bonds7

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

4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 114558024) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID114558024
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
SMILESCCCn1nccc1CN(CC)C1COCC1C(=O)O
InChIInChI=1S/C14H23N3O3/c1-3-7-17-11(5-6-15-17)8-16(4-2)13-10-20-9-12(13)14(18)19/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyBDSOUGWIJGBBED-UHFFFAOYSA-N
XLogP1.21
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid (CID 114558024) is 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is CCCn1nccc1CN(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is BDSOUGWIJGBBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-7-17-11(5-6-15-17)8-16(4-2)13-10-20-9-12(13)14(18)19/h5-6,12-13H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-propylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114558024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).