(2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

C17H19F3N4O2 — CID 72918528

IUPAC(2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1C(F)(F)F)N1CCC[C@H]1CO
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)14-6-2-1-4-12(14)10-24-15(7-8-21-24)22-16(26)23-9-3-5-13(23)11-25/h1-2,4,6-8,13,25H,3,5,9-11H2,(H,22,26)/t13-/m0/s1
InChIKeyUYMBCECCCWMLCX-ZDUSSCGKSA-N
MW368.36 g/mol
LogP2.94
Rot. Bonds4

About (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 72918528) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID72918528
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name(2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1C(F)(F)F)N1CCC[C@H]1CO
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)14-6-2-1-4-12(14)10-24-15(7-8-21-24)22-16(26)23-9-3-5-13(23)11-25/h1-2,4,6-8,13,25H,3,5,9-11H2,(H,22,26)/t13-/m0/s1
InChIKeyUYMBCECCCWMLCX-ZDUSSCGKSA-N
XLogP2.94
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 72918528) is (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccnn1Cc1ccccc1C(F)(F)F)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is UYMBCECCCWMLCX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)14-6-2-1-4-12(14)10-24-15(7-8-21-24)22-16(26)23-9-3-5-13(23)11-25/h1-2,4,6-8,13,25H,3,5,9-11H2,(H,22,26)/t13-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[2-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 72918528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).