(3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine

C9H13F3N4 — CID 120833985

IUPAC(3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-3-7(14-15-8)5-16-2-1-6(13)4-16/h3,6H,1-2,4-5,13H2,(H,14,15)/t6-/m1/s1
InChIKeySFVLTALXYGBDRC-ZCFIWIBFSA-N
MW234.22 g/mol
LogP0.96
Rot. Bonds2

About (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine

(3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 120833985) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
PubChem CID120833985
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name(3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-3-7(14-15-8)5-16-2-1-6(13)4-16/h3,6H,1-2,4-5,13H2,(H,14,15)/t6-/m1/s1
InChIKeySFVLTALXYGBDRC-ZCFIWIBFSA-N
XLogP0.96
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine 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 (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine (CID 120833985) is (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine is N[C@@H]1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is SFVLTALXYGBDRC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-3-7(14-15-8)5-16-2-1-6(13)4-16/h3,6H,1-2,4-5,13H2,(H,14,15)/t6-/m1/s1.
What are the key properties of (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
(3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120833985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).