1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine

C12H6ClF3N4 — CID 62140435

IUPAC1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
SMILESFC(F)(F)c1ccn(-c2nnc(Cl)c3ccccc23)n1
InChIInChI=1S/C12H6ClF3N4/c13-10-7-3-1-2-4-8(7)11(18-17-10)20-6-5-9(19-20)12(14,15)16/h1-6H
InChIKeyNTWFFXGZOIKFRR-UHFFFAOYSA-N
MW298.66 g/mol
LogP3.49
Rot. Bonds1

About 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine

1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine (PubChem CID 62140435) has the molecular formula C12H6ClF3N4 and a molecular weight of 298.66 g/mol. Its IUPAC name is 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine.

Molecular Properties

Compound Name1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
PubChem CID62140435
Molecular FormulaC12H6ClF3N4
Molecular Weight298.66 g/mol
Exact Mass298.02
IUPAC Name1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
SMILESFC(F)(F)c1ccn(-c2nnc(Cl)c3ccccc23)n1
InChIInChI=1S/C12H6ClF3N4/c13-10-7-3-1-2-4-8(7)11(18-17-10)20-6-5-9(19-20)12(14,15)16/h1-6H
InChIKeyNTWFFXGZOIKFRR-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.66
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine?
The IUPAC name of 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine (CID 62140435) is 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine.
What is the SMILES notation for 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine?
The canonical SMILES for 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine is FC(F)(F)c1ccn(-c2nnc(Cl)c3ccccc23)n1.
What is the InChIKey of 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine?
The InChIKey is NTWFFXGZOIKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF3N4/c13-10-7-3-1-2-4-8(7)11(18-17-10)20-6-5-9(19-20)12(14,15)16/h1-6H.
What are the key properties of 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine?
1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine has a molecular weight of 298.66 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine is sourced from PubChem (CID 62140435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).