2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

C18H16F3N3 — CID 158205974

IUPAC2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
SMILESCCCn1nc(-c2cccc(-c3ccccc3)n2)cc1C(F)(F)F
InChIInChI=1S/C18H16F3N3/c1-2-11-24-17(18(19,20)21)12-16(23-24)15-10-6-9-14(22-15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKeyMNMXLKXFUIVMOR-UHFFFAOYSA-N
MW331.34 g/mol
LogP5.04
Rot. Bonds4

About 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine

2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (PubChem CID 158205974) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
PubChem CID158205974
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine
SMILESCCCn1nc(-c2cccc(-c3ccccc3)n2)cc1C(F)(F)F
InChIInChI=1S/C18H16F3N3/c1-2-11-24-17(18(19,20)21)12-16(23-24)15-10-6-9-14(22-15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3
InChIKeyMNMXLKXFUIVMOR-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
Difenzoquat
CID 39425
3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
Sant-1
CID 6878030
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
3-Methyl-5-[(1-methyl-3-phenylpyrazol-5-yl)methyl]pyridine
CID 137631806
2-Methyl-4-pyrrolidin-1-yl-6-[(E)-2-(3-trifluoromethyl-phenyl)-vinyl]-pyridine
CID 9840567
2-(4-(4-Fluorophenyl)-1H-pyrazol-3-yl)-6-methylpyridine
CID 10083602
2-[4-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-pyridine
CID 10900715

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine (CID 158205974) is 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is CCCn1nc(-c2cccc(-c3ccccc3)n2)cc1C(F)(F)F.
What is the InChIKey of 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
The InChIKey is MNMXLKXFUIVMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-2-11-24-17(18(19,20)21)12-16(23-24)15-10-6-9-14(22-15)13-7-4-3-5-8-13/h3-10,12H,2,11H2,1H3.
What are the key properties of 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine?
2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine has a molecular weight of 331.34 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 158205974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).