6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine

C16H12F4N4 — CID 68723579

IUPAC6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
SMILESFc1ccc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H12F4N4/c17-14-6-5-13(9-22-14)21-7-11-8-23-24-15(11)10-1-3-12(4-2-10)16(18,19)20/h1-6,8-9,21H,7H2,(H,23,24)
InChIKeyCMVTWLDYHBXKQY-UHFFFAOYSA-N
MW336.29 g/mol
LogP4.24
Rot. Bonds4

About 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine

6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine (PubChem CID 68723579) has the molecular formula C16H12F4N4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
PubChem CID68723579
Molecular FormulaC16H12F4N4
Molecular Weight336.29 g/mol
Exact Mass336.10
IUPAC Name6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
SMILESFc1ccc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H12F4N4/c17-14-6-5-13(9-22-14)21-7-11-8-23-24-15(11)10-1-3-12(4-2-10)16(18,19)20/h1-6,8-9,21H,7H2,(H,23,24)
InChIKeyCMVTWLDYHBXKQY-UHFFFAOYSA-N
XLogP4.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine (CID 68723579) is 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine is Fc1ccc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
The InChIKey is CMVTWLDYHBXKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4/c17-14-6-5-13(9-22-14)21-7-11-8-23-24-15(11)10-1-3-12(4-2-10)16(18,19)20/h1-6,8-9,21H,7H2,(H,23,24).
What are the key properties of 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine has a molecular weight of 336.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 68723579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).