(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C14H22F3N5O — CID 120963452

IUPAC(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)n1
InChIInChI=1S/C14H22F3N5O/c1-20(2)6-7-22-5-4-12(19-22)18-13(23)10-8-21(3)9-11(10)14(15,16)17/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,23)/t10-,11-/m1/s1
InChIKeyAVCNIAGYLNFBAG-GHMZBOCLSA-N
MW333.36 g/mol
LogP1.12
Rot. Bonds5

About (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963452) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963452
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC Name(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)n1
InChIInChI=1S/C14H22F3N5O/c1-20(2)6-7-22-5-4-12(19-22)18-13(23)10-8-21(3)9-11(10)14(15,16)17/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,23)/t10-,11-/m1/s1
InChIKeyAVCNIAGYLNFBAG-GHMZBOCLSA-N
XLogP1.12
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-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)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963452) is (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C)CCn1ccc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)n1.
What is the InChIKey of (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is AVCNIAGYLNFBAG-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-20(2)6-7-22-5-4-12(19-22)18-13(23)10-8-21(3)9-11(10)14(15,16)17/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,23)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).