3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine

C16H22N4 — CID 136542565

IUPAC3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCc1cc(C)n(CCN2CCCC2c2cccnc2)n1
InChIInChI=1S/C16H22N4/c1-13-11-14(2)20(18-13)10-9-19-8-4-6-16(19)15-5-3-7-17-12-15/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3
InChIKeyJBNKUUUTTCFCJK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.73
Rot. Bonds4

About 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine

3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine (PubChem CID 136542565) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine
PubChem CID136542565
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCc1cc(C)n(CCN2CCCC2c2cccnc2)n1
InChIInChI=1S/C16H22N4/c1-13-11-14(2)20(18-13)10-9-19-8-4-6-16(19)15-5-3-7-17-12-15/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3
InChIKeyJBNKUUUTTCFCJK-UHFFFAOYSA-N
XLogP2.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
5,7-dimethyl-2-[(2-pyridin-3-ylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 23909002
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine (CID 136542565) is 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine is Cc1cc(C)n(CCN2CCCC2c2cccnc2)n1.
What is the InChIKey of 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is JBNKUUUTTCFCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-11-14(2)20(18-13)10-9-19-8-4-6-16(19)15-5-3-7-17-12-15/h3,5,7,11-12,16H,4,6,8-10H2,1-2H3.
What are the key properties of 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine?
3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 136542565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).