2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane

C15H23N3 — CID 145062525

IUPAC2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
SMILESCC.CCCn1cc(-c2cc(C)nc(C)c2)cn1
InChIInChI=1S/C13H17N3.C2H6/c1-4-5-16-9-13(8-14-16)12-6-10(2)15-11(3)7-12;1-2/h6-9H,4-5H2,1-3H3;1-2H3
InChIKeyFRVWQGLITJZNHL-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.00
Rot. Bonds3

About 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane

2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane (PubChem CID 145062525) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
PubChem CID145062525
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
SMILESCC.CCCn1cc(-c2cc(C)nc(C)c2)cn1
InChIInChI=1S/C13H17N3.C2H6/c1-4-5-16-9-13(8-14-16)12-6-10(2)15-11(3)7-12;1-2/h6-9H,4-5H2,1-3H3;1-2H3
InChIKeyFRVWQGLITJZNHL-UHFFFAOYSA-N
XLogP4.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethylpyrazol-4-yl)-2,6-dimethylpyridine
CID 121279540
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-propyl-4-(1H-pyrazol-4-yl)pyrazole
CID 131201406
2-[2-fluoro-3-methyl-5-(1-propylpyrazol-4-yl)phenyl]propan-2-amine
CID 167076606
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
4-methyl-2-(1-propylpyrazol-4-yl)benzonitrile
CID 172915447
2-chloro-5-(1-propylpyrazol-4-yl)phenol
CID 83130316
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
5-(bromomethyl)-3-(1-propylpyrazol-4-yl)-1,2-oxazole
CID 103573299
4,6-dichloro-5-fluoro-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572472
N-ethyl-5-methyl-2-propyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977825
4-chloro-5-ethyl-6-methyl-2-(1-propylpyrazol-4-yl)pyrimidine
CID 103572446

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane?
The IUPAC name of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane (CID 145062525) is 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane.
What is the SMILES notation for 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane?
The canonical SMILES for 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane is CC.CCCn1cc(-c2cc(C)nc(C)c2)cn1.
What is the InChIKey of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane?
The InChIKey is FRVWQGLITJZNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.C2H6/c1-4-5-16-9-13(8-14-16)12-6-10(2)15-11(3)7-12;1-2/h6-9H,4-5H2,1-3H3;1-2H3.
What are the key properties of 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane?
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane has a molecular weight of 245.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane is sourced from PubChem (CID 145062525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).