N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H19F3N4O — CID 104618574

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C13H19F3N4O/c1-11(2,3)8-6-9(20-19-8)18-10(21)12(13(14,15)16)4-5-17-7-12/h6,17H,4-5,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyQCZVHOXFNGHHKN-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.19
Rot. Bonds2

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 104618574) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID104618574
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C13H19F3N4O/c1-11(2,3)8-6-9(20-19-8)18-10(21)12(13(14,15)16)4-5-17-7-12/h6,17H,4-5,7H2,1-3H3,(H2,18,19,20,21)
InChIKeyQCZVHOXFNGHHKN-UHFFFAOYSA-N
XLogP2.19
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)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 N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 104618574) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)(C)c1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QCZVHOXFNGHHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-11(2,3)8-6-9(20-19-8)18-10(21)12(13(14,15)16)4-5-17-7-12/h6,17H,4-5,7H2,1-3H3,(H2,18,19,20,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 104618574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).