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

C9H13F3N4 — CID 120837543

IUPAC1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
SMILESNC1CCN(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)
InChIKeySFVLTALXYGBDRC-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.96
Rot. Bonds2

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

1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine (PubChem CID 120837543) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
PubChem CID120837543
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine
SMILESNC1CCN(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)
InChIKeySFVLTALXYGBDRC-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine (CID 120837543) is 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine is NC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
The InChIKey is SFVLTALXYGBDRC-UHFFFAOYSA-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).
What are the key properties of 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine?
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 1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120837543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).