(3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C15H20F3N5O — CID 120951171

IUPAC(3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1C(F)(F)F
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)11-6-22(5-10(11)13(19)24)7-12-20-21-14(8-1-2-8)23(12)9-3-4-9/h8-11H,1-7H2,(H2,19,24)/t10-,11-/m1/s1
InChIKeyVKIMJHYDOKZQST-GHMZBOCLSA-N
MW343.35 g/mol
LogP1.59
Rot. Bonds5

About (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120951171) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120951171
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name(3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1C(F)(F)F
InChIInChI=1S/C15H20F3N5O/c16-15(17,18)11-6-22(5-10(11)13(19)24)7-12-20-21-14(8-1-2-8)23(12)9-3-4-9/h8-11H,1-7H2,(H2,19,24)/t10-,11-/m1/s1
InChIKeyVKIMJHYDOKZQST-GHMZBOCLSA-N
XLogP1.59
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-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-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120951171) is (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CN(Cc2nnc(C3CC3)n2C2CC2)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VKIMJHYDOKZQST-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20F3N5O/c16-15(17,18)11-6-22(5-10(11)13(19)24)7-12-20-21-14(8-1-2-8)23(12)9-3-4-9/h8-11H,1-7H2,(H2,19,24)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120951171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).