2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

C10H6F6N4 — CID 1473015

IUPAC2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
SMILESNc1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6N4/c11-9(12,13)6-4-7(10(14,15)16)20(19-6)8-5(17)2-1-3-18-8/h1-4H,17H2
InChIKeyFPZLOMXHMVBITP-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.89
Rot. Bonds1

About 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine

2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (PubChem CID 1473015) has the molecular formula C10H6F6N4 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
PubChem CID1473015
Molecular FormulaC10H6F6N4
Molecular Weight296.17 g/mol
Exact Mass296.05
IUPAC Name2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
SMILESNc1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H6F6N4/c11-9(12,13)6-4-7(10(14,15)16)20(19-6)8-5(17)2-1-3-18-8/h1-4H,17H2
InChIKeyFPZLOMXHMVBITP-UHFFFAOYSA-N
XLogP2.89
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine (CID 1473015) is 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is Nc1cccnc1-n1nc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
The InChIKey is FPZLOMXHMVBITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N4/c11-9(12,13)6-4-7(10(14,15)16)20(19-6)8-5(17)2-1-3-18-8/h1-4H,17H2.
What are the key properties of 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine?
2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine is sourced from PubChem (CID 1473015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).