2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine

C19H28N4 — CID 125025306

IUPAC2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
SMILESCC(C)N1CC[C@@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1
InChIInChI=1S/C19H28N4/c1-14(2)22-10-8-17(13-22)11-16-5-6-18(20-12-16)19-7-9-21-23(19)15(3)4/h5-7,9,12,14-15,17H,8,10-11,13H2,1-4H3/t17-/m0/s1
InChIKeyZLVYMUJCSCONOQ-KRWDZBQOSA-N
MW312.46 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine

2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine (PubChem CID 125025306) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
PubChem CID125025306
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine
SMILESCC(C)N1CC[C@@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1
InChIInChI=1S/C19H28N4/c1-14(2)22-10-8-17(13-22)11-16-5-6-18(20-12-16)19-7-9-21-23(19)15(3)4/h5-7,9,12,14-15,17H,8,10-11,13H2,1-4H3/t17-/m0/s1
InChIKeyZLVYMUJCSCONOQ-KRWDZBQOSA-N
XLogP3.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpiperidin-3-yl)methyl]-6-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101564
5-[(1-methylpyrrolidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 110102056
2-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-(2-propan-2-ylpyrazol-3-yl)pyrazine
CID 110101514
4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 125005949
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-methylpyrazol-3-yl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine
CID 124964634
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-propan-2-ylpyrazol-3-yl)pyridine
CID 110102022
2-(2-methylpyrazol-3-yl)-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine
CID 110102090
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
1-[(3S)-3-[[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124991548
2-methyl-4-(2-propan-2-ylpyrazol-3-yl)-6-[(3R)-1-propan-2-ylpyrrolidin-3-yl]pyrimidine
CID 124989938

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine?
The IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine (CID 125025306) is 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine.
What is the SMILES notation for 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine?
The canonical SMILES for 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine is CC(C)N1CC[C@@H](Cc2ccc(-c3ccnn3C(C)C)nc2)C1.
What is the InChIKey of 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine?
The InChIKey is ZLVYMUJCSCONOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4/c1-14(2)22-10-8-17(13-22)11-16-5-6-18(20-12-16)19-7-9-21-23(19)15(3)4/h5-7,9,12,14-15,17H,8,10-11,13H2,1-4H3/t17-/m0/s1.
What are the key properties of 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine?
2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine has a molecular weight of 312.46 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrazol-3-yl)-5-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 125025306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).