4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine

C18H26N4 — CID 125024542

IUPAC4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
SMILESCc1nn(C)c(C)c1CN1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C18H26N4/c1-14-18(15(2)21(3)20-14)13-22-12-4-5-17(22)7-6-16-8-10-19-11-9-16/h8-11,17H,4-7,12-13H2,1-3H3/t17-/m1/s1
InChIKeyZGJMHBZSDPNBCU-QGZVFWFLSA-N
MW298.43 g/mol
LogP3.03
Rot. Bonds5

About 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine

4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine (PubChem CID 125024542) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
PubChem CID125024542
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
SMILESCc1nn(C)c(C)c1CN1CCC[C@@H]1CCc1ccncc1
InChIInChI=1S/C18H26N4/c1-14-18(15(2)21(3)20-14)13-22-12-4-5-17(22)7-6-16-8-10-19-11-9-16/h8-11,17H,4-7,12-13H2,1-3H3/t17-/m1/s1
InChIKeyZGJMHBZSDPNBCU-QGZVFWFLSA-N
XLogP3.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(2S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124946744
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-[(2R)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124948812
4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124992720
1-methyl-2-[[(2S)-2-(2-phenylethyl)pyrrolidin-1-yl]methyl]imidazole
CID 95595150
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
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
[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
The IUPAC name of 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine (CID 125024542) is 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine.
What is the SMILES notation for 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
The canonical SMILES for 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine is Cc1nn(C)c(C)c1CN1CCC[C@@H]1CCc1ccncc1.
What is the InChIKey of 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
The InChIKey is ZGJMHBZSDPNBCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-18(15(2)21(3)20-14)13-22-12-4-5-17(22)7-6-16-8-10-19-11-9-16/h8-11,17H,4-7,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine?
4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine is sourced from PubChem (CID 125024542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).