6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine

C17H15F4N5 — CID 71105505

IUPAC6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)nc1N
InChIInChI=1S/C17H15F4N5/c1-26-13(8-14(25-26)17(19,20)21)11-6-7-15(24-16(11)22)23-9-10-4-2-3-5-12(10)18/h2-8H,9H2,1H3,(H3,22,23,24)
InChIKeyTZZBLKWQCQDEOH-UHFFFAOYSA-N
MW365.33 g/mol
LogP3.83
Rot. Bonds4

About 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine

6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine (PubChem CID 71105505) has the molecular formula C17H15F4N5 and a molecular weight of 365.33 g/mol. Its IUPAC name is 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
PubChem CID71105505
Molecular FormulaC17H15F4N5
Molecular Weight365.33 g/mol
Exact Mass365.13
IUPAC Name6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)nc1N
InChIInChI=1S/C17H15F4N5/c1-26-13(8-14(25-26)17(19,20)21)11-6-7-15(24-16(11)22)23-9-10-4-2-3-5-12(10)18/h2-8H,9H2,1H3,(H3,22,23,24)
InChIKeyTZZBLKWQCQDEOH-UHFFFAOYSA-N
XLogP3.83
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine (CID 71105505) is 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine is Cn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)nc1N.
What is the InChIKey of 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine?
The InChIKey is TZZBLKWQCQDEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5/c1-26-13(8-14(25-26)17(19,20)21)11-6-7-15(24-16(11)22)23-9-10-4-2-3-5-12(10)18/h2-8H,9H2,1H3,(H3,22,23,24).
What are the key properties of 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine?
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine has a molecular weight of 365.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 71105505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).