N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C11H11F3N4O — CID 43677222

IUPACN-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2ccn[nH]2)cn1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)7-19-10-2-1-8(5-16-10)15-6-9-3-4-17-18-9/h1-5,15H,6-7H2,(H,17,18)
InChIKeyKNNWDJSUWRQLBK-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.36
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677222) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677222
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2ccn[nH]2)cn1
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)7-19-10-2-1-8(5-16-10)15-6-9-3-4-17-18-9/h1-5,15H,6-7H2,(H,17,18)
InChIKeyKNNWDJSUWRQLBK-UHFFFAOYSA-N
XLogP2.36
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677222) is N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NCc2ccn[nH]2)cn1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is KNNWDJSUWRQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)7-19-10-2-1-8(5-16-10)15-6-9-3-4-17-18-9/h1-5,15H,6-7H2,(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 272.23 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).