2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole

C15H20F3N5 — CID 56780542

IUPAC2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESCc1cnn(CC2CCCN2Cc2nccn2CC(F)(F)F)c1
InChIInChI=1S/C15H20F3N5/c1-12-7-20-23(8-12)9-13-3-2-5-21(13)10-14-19-4-6-22(14)11-15(16,17)18/h4,6-8,13H,2-3,5,9-11H2,1H3
InChIKeyBGCMZRMWEGWPNC-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.61
Rot. Bonds5

About 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole

2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 56780542) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID56780542
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESCc1cnn(CC2CCCN2Cc2nccn2CC(F)(F)F)c1
InChIInChI=1S/C15H20F3N5/c1-12-7-20-23(8-12)9-13-3-2-5-21(13)10-14-19-4-6-22(14)11-15(16,17)18/h4,6-8,13H,2-3,5,9-11H2,1H3
InChIKeyBGCMZRMWEGWPNC-UHFFFAOYSA-N
XLogP2.61
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole (CID 56780542) is 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole is Cc1cnn(CC2CCCN2Cc2nccn2CC(F)(F)F)c1.
What is the InChIKey of 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is BGCMZRMWEGWPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-12-7-20-23(8-12)9-13-3-2-5-21(13)10-14-19-4-6-22(14)11-15(16,17)18/h4,6-8,13H,2-3,5,9-11H2,1H3.
What are the key properties of 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 327.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 56780542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).