5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine

C11H11F3N4 — CID 118593107

IUPAC5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
SMILESCC(C)c1ccn(-c2cnnc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H11F3N4/c1-7(2)9-3-4-18(17-9)8-5-10(11(12,13)14)16-15-6-8/h3-7H,1-2H3
InChIKeyROVVQEOTYPMLQK-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.80
Rot. Bonds2

About 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine

5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine (PubChem CID 118593107) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
PubChem CID118593107
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
SMILESCC(C)c1ccn(-c2cnnc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H11F3N4/c1-7(2)9-3-4-18(17-9)8-5-10(11(12,13)14)16-15-6-8/h3-7H,1-2H3
InChIKeyROVVQEOTYPMLQK-UHFFFAOYSA-N
XLogP2.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The IUPAC name of 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine (CID 118593107) is 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine is CC(C)c1ccn(-c2cnnc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The InChIKey is ROVVQEOTYPMLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-7(2)9-3-4-18(17-9)8-5-10(11(12,13)14)16-15-6-8/h3-7H,1-2H3.
What are the key properties of 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine has a molecular weight of 256.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 118593107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).