4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine

C18H26N4 — CID 124992720

IUPAC4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
SMILESCC(C)n1nccc1CN1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C18H26N4/c1-15(2)22-18(9-12-20-22)14-21-13-3-4-17(21)6-5-16-7-10-19-11-8-16/h7-12,15,17H,3-6,13-14H2,1-2H3/t17-/m1/s1
InChIKeyPSQFMJJLHSCDRD-QGZVFWFLSA-N
MW298.43 g/mol
LogP3.46
Rot. Bonds6

About 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine

4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine (PubChem CID 124992720) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
PubChem CID124992720
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
SMILESCC(C)n1nccc1CN1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C18H26N4/c1-15(2)22-18(9-12-20-22)14-21-13-3-4-17(21)6-5-16-7-10-19-11-8-16/h7-12,15,17H,3-6,13-14H2,1-2H3/t17-/m1/s1
InChIKeyPSQFMJJLHSCDRD-QGZVFWFLSA-N
XLogP3.46
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841938
4-[2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124946744
4-[2-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
3-[[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006197
3-[[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 125006196
4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 125016132
4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 125024542
3-amino-N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911586
4-[2-[(2S)-1-(oxan-4-yl)pyrrolidin-2-yl]ethyl]pyridine
CID 124996158
2-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983003
2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983002
4-[2-(1-ethylsulfonylpyrrolidin-2-yl)ethyl]pyridine
CID 73439643

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
The IUPAC name of 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine (CID 124992720) is 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
The canonical SMILES for 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine is CC(C)n1nccc1CN1CCC[C@@H]1CCc1ccncc1.
What is the InChIKey of 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
The InChIKey is PSQFMJJLHSCDRD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4/c1-15(2)22-18(9-12-20-22)14-21-13-3-4-17(21)6-5-16-7-10-19-11-8-16/h7-12,15,17H,3-6,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 124992720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).