2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C12H12F3N3 — CID 66016517

IUPAC2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCCc1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H12F3N3/c1-2-3-10-6-7-18(17-10)11-5-4-9(8-16-11)12(13,14)15/h4-8H,2-3H2,1H3
InChIKeyPLALDZSUARAUHQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 66016517) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID66016517
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCCCc1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H12F3N3/c1-2-3-10-6-7-18(17-10)11-5-4-9(8-16-11)12(13,14)15/h4-8H,2-3H2,1H3
InChIKeyPLALDZSUARAUHQ-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 66016517) is 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is CCCc1ccn(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is PLALDZSUARAUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-2-3-10-6-7-18(17-10)11-5-4-9(8-16-11)12(13,14)15/h4-8H,2-3H2,1H3.
What are the key properties of 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 255.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 66016517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).