3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole

C15H12ClF3N4 — CID 118864419

IUPAC3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCn1ccc(Cn2cc(-c3ccc(Cl)c(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C15H12ClF3N4/c1-22-5-4-12(21-22)9-23-8-11(7-20-23)10-2-3-14(16)13(6-10)15(17,18)19/h2-8H,9H2,1H3
InChIKeyFDYFJXNCCIBNPD-UHFFFAOYSA-N
MW340.74 g/mol
LogP4.00
Rot. Bonds3

About 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole

3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole (PubChem CID 118864419) has the molecular formula C15H12ClF3N4 and a molecular weight of 340.74 g/mol. Its IUPAC name is 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
PubChem CID118864419
Molecular FormulaC15H12ClF3N4
Molecular Weight340.74 g/mol
Exact Mass340.07
IUPAC Name3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole
SMILESCn1ccc(Cn2cc(-c3ccc(Cl)c(C(F)(F)F)c3)cn2)n1
InChIInChI=1S/C15H12ClF3N4/c1-22-5-4-12(21-22)9-23-8-11(7-20-23)10-2-3-14(16)13(6-10)15(17,18)19/h2-8H,9H2,1H3
InChIKeyFDYFJXNCCIBNPD-UHFFFAOYSA-N
XLogP4.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole (CID 118864419) is 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole is Cn1ccc(Cn2cc(-c3ccc(Cl)c(C(F)(F)F)c3)cn2)n1.
What is the InChIKey of 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole?
The InChIKey is FDYFJXNCCIBNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4/c1-22-5-4-12(21-22)9-23-8-11(7-20-23)10-2-3-14(16)13(6-10)15(17,18)19/h2-8H,9H2,1H3.
What are the key properties of 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole?
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole has a molecular weight of 340.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 118864419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).