1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole

C14H18F3N5 — CID 95569703

IUPAC1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole
SMILESCn1cc([C@H]2CCCN2Cc2nccn2CC(F)(F)F)cn1
InChIInChI=1S/C14H18F3N5/c1-20-8-11(7-19-20)12-3-2-5-21(12)9-13-18-4-6-22(13)10-14(15,16)17/h4,6-8,12H,2-3,5,9-10H2,1H3/t12-/m1/s1
InChIKeyGORKWZSBIAYTAI-GFCCVEGCSA-N
MW313.33 g/mol
LogP2.52
Rot. Bonds4

About 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole

1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole (PubChem CID 95569703) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole
PubChem CID95569703
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole
SMILESCn1cc([C@H]2CCCN2Cc2nccn2CC(F)(F)F)cn1
InChIInChI=1S/C14H18F3N5/c1-20-8-11(7-19-20)12-3-2-5-21(12)9-13-18-4-6-22(13)10-14(15,16)17/h4,6-8,12H,2-3,5,9-10H2,1H3/t12-/m1/s1
InChIKeyGORKWZSBIAYTAI-GFCCVEGCSA-N
XLogP2.52
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole (CID 95569703) is 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole is Cn1cc([C@H]2CCCN2Cc2nccn2CC(F)(F)F)cn1.
What is the InChIKey of 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole?
The InChIKey is GORKWZSBIAYTAI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-20-8-11(7-19-20)12-3-2-5-21(12)9-13-18-4-6-22(13)10-14(15,16)17/h4,6-8,12H,2-3,5,9-10H2,1H3/t12-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole?
1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole has a molecular weight of 313.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 95569703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).