2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine

C14H8ClF6N5 — CID 141192036

IUPAC2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)n(Cc2ccn(-c3ncccc3Cl)n2)n1
InChIInChI=1S/C14H8ClF6N5/c15-9-2-1-4-22-12(9)25-5-3-8(23-25)7-26-11(14(19,20)21)6-10(24-26)13(16,17)18/h1-6H,7H2
InChIKeyJNVJUKJLAUBQNN-UHFFFAOYSA-N
MW395.69 g/mol
LogP4.20
Rot. Bonds3

About 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine

2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine (PubChem CID 141192036) has the molecular formula C14H8ClF6N5 and a molecular weight of 395.69 g/mol. Its IUPAC name is 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine.

Molecular Properties

Compound Name2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine
PubChem CID141192036
Molecular FormulaC14H8ClF6N5
Molecular Weight395.69 g/mol
Exact Mass395.04
IUPAC Name2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)n(Cc2ccn(-c3ncccc3Cl)n2)n1
InChIInChI=1S/C14H8ClF6N5/c15-9-2-1-4-22-12(9)25-5-3-8(23-25)7-26-11(14(19,20)21)6-10(24-26)13(16,17)18/h1-6H,7H2
InChIKeyJNVJUKJLAUBQNN-UHFFFAOYSA-N
XLogP4.20
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine?
The IUPAC name of 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine (CID 141192036) is 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine.
What is the SMILES notation for 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine?
The canonical SMILES for 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine is FC(F)(F)c1cc(C(F)(F)F)n(Cc2ccn(-c3ncccc3Cl)n2)n1.
What is the InChIKey of 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine?
The InChIKey is JNVJUKJLAUBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6N5/c15-9-2-1-4-22-12(9)25-5-3-8(23-25)7-26-11(14(19,20)21)6-10(24-26)13(16,17)18/h1-6H,7H2.
What are the key properties of 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine?
2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine has a molecular weight of 395.69 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-1-yl]-3-chloropyridine is sourced from PubChem (CID 141192036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).