N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C11H12F3N5 — CID 115319990

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cnn(CCNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)8-1-2-10(17-5-8)16-3-4-19-7-9(15)6-18-19/h1-2,5-7H,3-4,15H2,(H,16,17)
InChIKeyNNGVXQFAFCULGU-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.99
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115319990) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115319990
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESNc1cnn(CCNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)8-1-2-10(17-5-8)16-3-4-19-7-9(15)6-18-19/h1-2,5-7H,3-4,15H2,(H,16,17)
InChIKeyNNGVXQFAFCULGU-UHFFFAOYSA-N
XLogP1.99
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 115319990) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Nc1cnn(CCNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NNGVXQFAFCULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)8-1-2-10(17-5-8)16-3-4-19-7-9(15)6-18-19/h1-2,5-7H,3-4,15H2,(H,16,17).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 271.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115319990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).