(2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C15H22F3N5O — CID 164636482

IUPAC(2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-22-9-5-13(20-22)19-14(24)23-8-3-4-12(23)10-21-6-1-2-7-21/h5,9,12H,1-4,6-8,10-11H2,(H,19,20,24)/t12-/m1/s1
InChIKeyJVBZCOZOOCNACI-GFCCVEGCSA-N
MW345.37 g/mol
LogP2.54
Rot. Bonds4

About (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

(2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 164636482) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID164636482
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name(2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@@H]1CN1CCCC1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-22-9-5-13(20-22)19-14(24)23-8-3-4-12(23)10-21-6-1-2-7-21/h5,9,12H,1-4,6-8,10-11H2,(H,19,20,24)/t12-/m1/s1
InChIKeyJVBZCOZOOCNACI-GFCCVEGCSA-N
XLogP2.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 164636482) is (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccn(CC(F)(F)F)n1)N1CCC[C@@H]1CN1CCCC1.
What is the InChIKey of (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is JVBZCOZOOCNACI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)11-22-9-5-13(20-22)19-14(24)23-8-3-4-12(23)10-21-6-1-2-7-21/h5,9,12H,1-4,6-8,10-11H2,(H,19,20,24)/t12-/m1/s1.
What are the key properties of (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
(2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164636482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).