2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole

C14H18F3N5 — CID 95353798

IUPAC2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C14H18F3N5/c15-14(16,17)11-21-8-5-18-13(21)10-20-6-1-3-12(20)9-22-7-2-4-19-22/h2,4-5,7-8,12H,1,3,6,9-11H2/t12-/m0/s1
InChIKeyUAKDQQKTOOUHOX-LBPRGKRZSA-N
MW313.33 g/mol
LogP2.31
Rot. Bonds5

About 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole

2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole (PubChem CID 95353798) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole.

Molecular Properties

Compound Name2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
PubChem CID95353798
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole
SMILESFC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C14H18F3N5/c15-14(16,17)11-21-8-5-18-13(21)10-20-6-1-3-12(20)9-22-7-2-4-19-22/h2,4-5,7-8,12H,1,3,6,9-11H2/t12-/m0/s1
InChIKeyUAKDQQKTOOUHOX-LBPRGKRZSA-N
XLogP2.31
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The IUPAC name of 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole (CID 95353798) is 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole.
What is the SMILES notation for 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The canonical SMILES for 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole is FC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cn1cccn1.
What is the InChIKey of 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
The InChIKey is UAKDQQKTOOUHOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18F3N5/c15-14(16,17)11-21-8-5-18-13(21)10-20-6-1-3-12(20)9-22-7-2-4-19-22/h2,4-5,7-8,12H,1,3,6,9-11H2/t12-/m0/s1.
What are the key properties of 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole?
2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole has a molecular weight of 313.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)imidazole is sourced from PubChem (CID 95353798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).