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

C10H16ClF3N4 — CID 120834167

IUPACN-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1.Cl
InChIInChI=1S/C10H15F3N4.ClH/c1-14-7-2-3-17(5-7)6-8-4-9(16-15-8)10(11,12)13;/h4,7,14H,2-3,5-6H2,1H3,(H,15,16);1H
InChIKeyUNTUMDQJEBYLHA-UHFFFAOYSA-N
MW284.71 g/mol
LogP1.64
Rot. Bonds3

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

N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120834167) has the molecular formula C10H16ClF3N4 and a molecular weight of 284.71 g/mol. Its IUPAC name is N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120834167
Molecular FormulaC10H16ClF3N4
Molecular Weight284.71 g/mol
Exact Mass284.10
IUPAC NameN-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1.Cl
InChIInChI=1S/C10H15F3N4.ClH/c1-14-7-2-3-17(5-7)6-8-4-9(16-15-8)10(11,12)13;/h4,7,14H,2-3,5-6H2,1H3,(H,15,16);1H
InChIKeyUNTUMDQJEBYLHA-UHFFFAOYSA-N
XLogP1.64
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120834167) is N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride is CNC1CCN(Cc2cc(C(F)(F)F)n[nH]2)C1.Cl.
What is the InChIKey of N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is UNTUMDQJEBYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4.ClH/c1-14-7-2-3-17(5-7)6-8-4-9(16-15-8)10(11,12)13;/h4,7,14H,2-3,5-6H2,1H3,(H,15,16);1H.
What are the key properties of N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 284.71 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120834167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).