N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C15H23F3N4O2 — CID 75473256

IUPACN-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)NC(=O)N1CCCC1CO
InChIInChI=1S/C15H23F3N4O2/c1-9(19-14(24)21-6-4-5-12(21)7-23)13-10(2)20-22(11(13)3)8-15(16,17)18/h9,12,23H,4-8H2,1-3H3,(H,19,24)
InChIKeyYVMHRSHGRJXMHD-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.29
Rot. Bonds4

About N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 75473256) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID75473256
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC NameN-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)NC(=O)N1CCCC1CO
InChIInChI=1S/C15H23F3N4O2/c1-9(19-14(24)21-6-4-5-12(21)7-23)13-10(2)20-22(11(13)3)8-15(16,17)18/h9,12,23H,4-8H2,1-3H3,(H,19,24)
InChIKeyYVMHRSHGRJXMHD-UHFFFAOYSA-N
XLogP2.29
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 75473256) is N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is Cc1nn(CC(F)(F)F)c(C)c1C(C)NC(=O)N1CCCC1CO.
What is the InChIKey of N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is YVMHRSHGRJXMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-9(19-14(24)21-6-4-5-12(21)7-23)13-10(2)20-22(11(13)3)8-15(16,17)18/h9,12,23H,4-8H2,1-3H3,(H,19,24).
What are the key properties of N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75473256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).