1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid

C15H25N3O2 — CID 65197210

IUPAC1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(C)c2cn(C)nc2C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-15(14(19)20)6-8-18(9-7-15)12(3)13-10-17(4)16-11(13)2/h10,12H,5-9H2,1-4H3,(H,19,20)
InChIKeyMFNWOIWFKKGLOZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.37
Rot. Bonds4

About 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 65197210) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID65197210
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(C)c2cn(C)nc2C)CC1
InChIInChI=1S/C15H25N3O2/c1-5-15(14(19)20)6-8-18(9-7-15)12(3)13-10-17(4)16-11(13)2/h10,12H,5-9H2,1-4H3,(H,19,20)
InChIKeyMFNWOIWFKKGLOZ-UHFFFAOYSA-N
XLogP2.37
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid (CID 65197210) is 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(C)c2cn(C)nc2C)CC1.
What is the InChIKey of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is MFNWOIWFKKGLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-15(14(19)20)6-8-18(9-7-15)12(3)13-10-17(4)16-11(13)2/h10,12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid?
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65197210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).