5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine

C10H9F3N4 — CID 90247291

IUPAC5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
SMILESCCc1ccn(-c2cnnc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H9F3N4/c1-2-7-3-4-17(16-7)8-5-9(10(11,12)13)15-14-6-8/h3-6H,2H2,1H3
InChIKeyNSMYJSQSCYWXTQ-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.24
Rot. Bonds2

About 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine

5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine (PubChem CID 90247291) has the molecular formula C10H9F3N4 and a molecular weight of 242.20 g/mol. Its IUPAC name is 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
PubChem CID90247291
Molecular FormulaC10H9F3N4
Molecular Weight242.20 g/mol
Exact Mass242.08
IUPAC Name5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine
SMILESCCc1ccn(-c2cnnc(C(F)(F)F)c2)n1
InChIInChI=1S/C10H9F3N4/c1-2-7-3-4-17(16-7)8-5-9(10(11,12)13)15-14-6-8/h3-6H,2H2,1H3
InChIKeyNSMYJSQSCYWXTQ-UHFFFAOYSA-N
XLogP2.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-1H-pyrazol-4-amine
CID 121021
1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
3-methyl-1-phenyl-1H-pyrazole
CID 70783
Methyl-pyridin-4-yl-(2-vinyl-pyrrol-1-yl)-amine
CID 10375506
Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
3-(1H-pyrazol-1-yl)pyridine
CID 11378567
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184
4-(1H-Pyrazol-1-yl)pyridine
CID 20041704
(1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)methanamine
CID 52943064
1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-amine
CID 54581685
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-pyridin-3-ylacetamide
CID 3236806

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The IUPAC name of 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine (CID 90247291) is 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine is CCc1ccn(-c2cnnc(C(F)(F)F)c2)n1.
What is the InChIKey of 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
The InChIKey is NSMYJSQSCYWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4/c1-2-7-3-4-17(16-7)8-5-9(10(11,12)13)15-14-6-8/h3-6H,2H2,1H3.
What are the key properties of 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine?
5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine has a molecular weight of 242.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrazol-1-yl)-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 90247291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).