4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

C20H14F3N5O — CID 10222424

IUPAC4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cccc(Nc2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)29-15-5-3-4-14(11-15)27-18-10-13(7-9-25-18)16-12-26-28-19(16)17-6-1-2-8-24-17/h1-12H,(H,25,27)(H,26,28)
InChIKeyJOMIIGRVZOSCBW-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.18
Rot. Bonds5

About 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine

4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 10222424) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
PubChem CID10222424
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
SMILESFC(F)(F)Oc1cccc(Nc2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1
InChIInChI=1S/C20H14F3N5O/c21-20(22,23)29-15-5-3-4-14(11-15)27-18-10-13(7-9-25-18)16-12-26-28-19(16)17-6-1-2-8-24-17/h1-12H,(H,25,27)(H,26,28)
InChIKeyJOMIIGRVZOSCBW-UHFFFAOYSA-N
XLogP5.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine (CID 10222424) is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is FC(F)(F)Oc1cccc(Nc2cc(-c3cn[nH]c3-c3ccccn3)ccn2)c1.
What is the InChIKey of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
The InChIKey is JOMIIGRVZOSCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c21-20(22,23)29-15-5-3-4-14(11-15)27-18-10-13(7-9-25-18)16-12-26-28-19(16)17-6-1-2-8-24-17/h1-12H,(H,25,27)(H,26,28).
What are the key properties of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine?
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine has a molecular weight of 397.36 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 10222424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).