1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole

C13H11FN4 — CID 165474584

IUPAC1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
SMILESCn1nccc1-c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C13H11FN4/c1-17-13(6-8-15-17)11-7-9-18(16-11)12-5-3-2-4-10(12)14/h2-9H,1H3
InChIKeyWDKXABJAFAHRKA-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.41
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole

1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole (PubChem CID 165474584) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
PubChem CID165474584
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole
SMILESCn1nccc1-c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C13H11FN4/c1-17-13(6-8-15-17)11-7-9-18(16-11)12-5-3-2-4-10(12)14/h2-9H,1H3
InChIKeyWDKXABJAFAHRKA-UHFFFAOYSA-N
XLogP2.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole (CID 165474584) is 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole is Cn1nccc1-c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
The InChIKey is WDKXABJAFAHRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-17-13(6-8-15-17)11-7-9-18(16-11)12-5-3-2-4-10(12)14/h2-9H,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole?
1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole has a molecular weight of 242.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-methylpyrazol-3-yl)pyrazole is sourced from PubChem (CID 165474584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).