(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C19H24F3N5O — CID 155538253

IUPAC(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C19H24F3N5O/c1-26(2)13-6-4-12(5-7-13)9-24-18(28)15-11-23-10-14(15)16-8-17(19(20,21)22)27(3)25-16/h4-8,14-15,23H,9-11H2,1-3H3,(H,24,28)/t14-,15-/m0/s1
InChIKeyWFMAJDYOBCBAGU-GJZGRUSLSA-N
MW395.43 g/mol
LogP2.12
Rot. Bonds5

About (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 155538253) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID155538253
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC Name(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C19H24F3N5O/c1-26(2)13-6-4-12(5-7-13)9-24-18(28)15-11-23-10-14(15)16-8-17(19(20,21)22)27(3)25-16/h4-8,14-15,23H,9-11H2,1-3H3,(H,24,28)/t14-,15-/m0/s1
InChIKeyWFMAJDYOBCBAGU-GJZGRUSLSA-N
XLogP2.12
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 155538253) is (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CN(C)c1ccc(CNC(=O)[C@H]2CNC[C@@H]2c2cc(C(F)(F)F)n(C)n2)cc1.
What is the InChIKey of (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is WFMAJDYOBCBAGU-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-26(2)13-6-4-12(5-7-13)9-24-18(28)15-11-23-10-14(15)16-8-17(19(20,21)22)27(3)25-16/h4-8,14-15,23H,9-11H2,1-3H3,(H,24,28)/t14-,15-/m0/s1.
What are the key properties of (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
(3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[[4-(dimethylamino)phenyl]methyl]-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 155538253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).