2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine

C16H23N3 — CID 141130510

IUPAC2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine
SMILESCCn1cc(-c2cnc(CC(C)(C)C)c(C)c2)cn1
InChIInChI=1S/C16H23N3/c1-6-19-11-14(10-18-19)13-7-12(2)15(17-9-13)8-16(3,4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyWPVJTXUDBRTQTK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.86
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine

2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine (PubChem CID 141130510) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine
PubChem CID141130510
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine
SMILESCCn1cc(-c2cnc(CC(C)(C)C)c(C)c2)cn1
InChIInChI=1S/C16H23N3/c1-6-19-11-14(10-18-19)13-7-12(2)15(17-9-13)8-16(3,4)5/h7,9-11H,6,8H2,1-5H3
InChIKeyWPVJTXUDBRTQTK-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
2-(1-ethylpyrazol-4-yl)-4-fluoropyridine
CID 102824444
6-(1-ethylpyrazol-4-yl)-5-methyl-1H-pyrimidin-2-one
CID 106515932
N-[5-(1-ethylpyrazol-4-yl)-2-formyl-3-pyridinyl]acetamide
CID 176581728
2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine
CID 167076606
ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline
CID 176986429
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine (CID 141130510) is 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine is CCn1cc(-c2cnc(CC(C)(C)C)c(C)c2)cn1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine?
The InChIKey is WPVJTXUDBRTQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-6-19-11-14(10-18-19)13-7-12(2)15(17-9-13)8-16(3,4)5/h7,9-11H,6,8H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine?
2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine has a molecular weight of 257.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine is sourced from PubChem (CID 141130510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).