(3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H15F3N4O — CID 120963454

IUPAC(3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2ccnn2C)C1
InChIInChI=1S/C11H15F3N4O/c1-17-5-7(8(6-17)11(12,13)14)10(19)16-9-3-4-15-18(9)2/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)/t7-,8-/m1/s1
InChIKeyQAQJXMNDZKUUBA-HTQZYQBOSA-N
MW276.26 g/mol
LogP1.10
Rot. Bonds2

About (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963454) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963454
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name(3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2ccnn2C)C1
InChIInChI=1S/C11H15F3N4O/c1-17-5-7(8(6-17)11(12,13)14)10(19)16-9-3-4-15-18(9)2/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)/t7-,8-/m1/s1
InChIKeyQAQJXMNDZKUUBA-HTQZYQBOSA-N
XLogP1.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-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-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963454) is (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2ccnn2C)C1.
What is the InChIKey of (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QAQJXMNDZKUUBA-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-17-5-7(8(6-17)11(12,13)14)10(19)16-9-3-4-15-18(9)2/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-methyl-N-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).