N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine

C13H19F3N4 — CID 52987251

IUPACN-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1NNCC1CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4/c1-9-10(7-19-20-9)3-2-6-17-12-5-4-11(8-18-12)13(14,15)16/h4-5,8-10,19-20H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyONTGVZWXHVNTQK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.40
Rot. Bonds5

About N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine

N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 52987251) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID52987251
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1NNCC1CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H19F3N4/c1-9-10(7-19-20-9)3-2-6-17-12-5-4-11(8-18-12)13(14,15)16/h4-5,8-10,19-20H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyONTGVZWXHVNTQK-UHFFFAOYSA-N
XLogP2.40
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine (CID 52987251) is N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine is CC1NNCC1CCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ONTGVZWXHVNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-9-10(7-19-20-9)3-2-6-17-12-5-4-11(8-18-12)13(14,15)16/h4-5,8-10,19-20H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpyrazolidin-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 52987251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).