2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine

C14H19N3 — CID 166393602

IUPAC2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine
SMILESCCc1ccnc(-c2cnn(C(C)(C)C)c2)c1
InChIInChI=1S/C14H19N3/c1-5-11-6-7-15-13(8-11)12-9-16-17(10-12)14(2,3)4/h6-10H,5H2,1-4H3
InChIKeyFFSQDUQCLXNYHM-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.26
Rot. Bonds2

About 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine

2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine (PubChem CID 166393602) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine.

Molecular Properties

Compound Name2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine
PubChem CID166393602
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine
SMILESCCc1ccnc(-c2cnn(C(C)(C)C)c2)c1
InChIInChI=1S/C14H19N3/c1-5-11-6-7-15-13(8-11)12-9-16-17(10-12)14(2,3)4/h6-10H,5H2,1-4H3
InChIKeyFFSQDUQCLXNYHM-UHFFFAOYSA-N
XLogP3.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(4-methylphenyl)pyridine
CID 165358443
2-(1-tert-butylpyrazol-4-yl)-5-chloropyridine
CID 166258521
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167
carbanide;chlororuthenium(1+);4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine
CID 58510490
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60957794
4-ethyl-2-phenylpyridine;fluoroform;iridium
CID 174671800
2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
CID 102824444
4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 146457338
[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine
CID 175875458
2-[4-(bromomethyl)-2-pyridinyl]-4-methylpyridine;2-(4-ethyl-2-pyridinyl)-4-methylpyridine
CID 159642899
4-(1-tert-butylpyrazol-4-yl)-N-(1,1,1-trifluorobutan-2-yl)pyridine-2-carboxamide
CID 171682647
1-ethyl-4-[4-(4-ethyl-2-pyridinyl)phenyl]piperazine
CID 170239680

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine?
The IUPAC name of 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine (CID 166393602) is 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine.
What is the SMILES notation for 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine?
The canonical SMILES for 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine is CCc1ccnc(-c2cnn(C(C)(C)C)c2)c1.
What is the InChIKey of 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine?
The InChIKey is FFSQDUQCLXNYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-11-6-7-15-13(8-11)12-9-16-17(10-12)14(2,3)4/h6-10H,5H2,1-4H3.
What are the key properties of 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine?
2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine has a molecular weight of 229.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine is sourced from PubChem (CID 166393602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).