4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine

C10H15N3 — CID 63974644

IUPAC4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCCn1nccc1C1=CCNCC1
InChIInChI=1S/C10H15N3/c1-2-13-10(5-8-12-13)9-3-6-11-7-4-9/h3,5,8,11H,2,4,6-7H2,1H3
InChIKeyXCOUFKCOXLHJEX-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.28
Rot. Bonds2

About 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine

4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 63974644) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID63974644
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCCn1nccc1C1=CCNCC1
InChIInChI=1S/C10H15N3/c1-2-13-10(5-8-12-13)9-3-6-11-7-4-9/h3,5,8,11H,2,4,6-7H2,1H3
InChIKeyXCOUFKCOXLHJEX-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine (CID 63974644) is 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine is CCn1nccc1C1=CCNCC1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is XCOUFKCOXLHJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-13-10(5-8-12-13)9-3-6-11-7-4-9/h3,5,8,11H,2,4,6-7H2,1H3.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine?
4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 177.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 63974644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).