2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine

C15H20N4 — CID 124992304

IUPAC2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
SMILESCN1CC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1
InChIInChI=1S/C15H20N4/c1-18-8-5-13(11-18)9-12-3-6-16-14(10-12)15-4-7-17-19(15)2/h3-4,6-7,10,13H,5,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyPPNILNOXVBNLQA-CYBMUJFWSA-N
MW256.35 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine

2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine (PubChem CID 124992304) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
PubChem CID124992304
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine
SMILESCN1CC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1
InChIInChI=1S/C15H20N4/c1-18-8-5-13(11-18)9-12-3-6-16-14(10-12)15-4-7-17-19(15)2/h3-4,6-7,10,13H,5,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyPPNILNOXVBNLQA-CYBMUJFWSA-N
XLogP1.98
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpyrazol-3-yl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridine
CID 110102016
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
CID 124964634
1-[(3R)-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124998664
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102056
4-(piperidin-4-ylmethyl)-2-(2-propylpyrazol-3-yl)pyridine
CID 110102012
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
2-[[(3R)-1-methylpiperidin-3-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrazine
CID 125010660

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine (CID 124992304) is 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine is CN1CC[C@H](Cc2ccnc(-c3ccnn3C)c2)C1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine?
The InChIKey is PPNILNOXVBNLQA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-8-5-13(11-18)9-12-3-6-16-14(10-12)15-4-7-17-19(15)2/h3-4,6-7,10,13H,5,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine?
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 124992304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).