(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C15H21F3N4O2 — CID 120949479

IUPAC(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1
InChIInChI=1S/C15H21F3N4O2/c1-8-9(6-22(20-8)14(2,3)4)13(24)21-5-10(12(19)23)11(7-21)15(16,17)18/h6,10-11H,5,7H2,1-4H3,(H2,19,23)/t10-,11-/m1/s1
InChIKeyVUDUNKZPPUZOTO-GHMZBOCLSA-N
MW346.35 g/mol
LogP1.68
Rot. Bonds2

About (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120949479) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120949479
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1
InChIInChI=1S/C15H21F3N4O2/c1-8-9(6-22(20-8)14(2,3)4)13(24)21-5-10(12(19)23)11(7-21)15(16,17)18/h6,10-11H,5,7H2,1-4H3,(H2,19,23)/t10-,11-/m1/s1
InChIKeyVUDUNKZPPUZOTO-GHMZBOCLSA-N
XLogP1.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(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 (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120949479) is (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H](C(N)=O)C1.
What is the InChIKey of (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VUDUNKZPPUZOTO-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-8-9(6-22(20-8)14(2,3)4)13(24)21-5-10(12(19)23)11(7-21)15(16,17)18/h6,10-11H,5,7H2,1-4H3,(H2,19,23)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(1-tert-butyl-3-methylpyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120949479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).