3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole

C17H27N5 — CID 164626719

IUPAC3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCc1nn(C)c(CC)c1CN1CC[C@H](c2nccn2C)C1
InChIInChI=1S/C17H27N5/c1-5-15-14(16(6-2)21(4)19-15)12-22-9-7-13(11-22)17-18-8-10-20(17)3/h8,10,13H,5-7,9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyZIVRAFZIZVHWDG-ZDUSSCGKSA-N
MW301.44 g/mol
LogP2.27
Rot. Bonds5

About 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole

3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole (PubChem CID 164626719) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
PubChem CID164626719
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCc1nn(C)c(CC)c1CN1CC[C@H](c2nccn2C)C1
InChIInChI=1S/C17H27N5/c1-5-15-14(16(6-2)21(4)19-15)12-22-9-7-13(11-22)17-18-8-10-20(17)3/h8,10,13H,5-7,9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyZIVRAFZIZVHWDG-ZDUSSCGKSA-N
XLogP2.27
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
The IUPAC name of 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole (CID 164626719) is 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
The canonical SMILES for 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole is CCc1nn(C)c(CC)c1CN1CC[C@H](c2nccn2C)C1.
What is the InChIKey of 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
The InChIKey is ZIVRAFZIZVHWDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5/c1-5-15-14(16(6-2)21(4)19-15)12-22-9-7-13(11-22)17-18-8-10-20(17)3/h8,10,13H,5-7,9,11-12H2,1-4H3/t13-/m0/s1.
What are the key properties of 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole?
3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole has a molecular weight of 301.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-methyl-4-[[(3S)-3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 164626719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).