4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole

C9H11FN4 — CID 89032531

IUPAC4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
SMILESCc1ccn(-c2nn(C)c(C)c2F)n1
InChIInChI=1S/C9H11FN4/c1-6-4-5-14(11-6)9-8(10)7(2)13(3)12-9/h4-5H,1-3H3
InChIKeyZMWYUFLEYAYFOG-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.36
Rot. Bonds1

About 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole

4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole (PubChem CID 89032531) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
PubChem CID89032531
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
SMILESCc1ccn(-c2nn(C)c(C)c2F)n1
InChIInChI=1S/C9H11FN4/c1-6-4-5-14(11-6)9-8(10)7(2)13(3)12-9/h4-5H,1-3H3
InChIKeyZMWYUFLEYAYFOG-UHFFFAOYSA-N
XLogP1.36
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The IUPAC name of 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole (CID 89032531) is 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole.
What is the SMILES notation for 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The canonical SMILES for 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole is Cc1ccn(-c2nn(C)c(C)c2F)n1.
What is the InChIKey of 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The InChIKey is ZMWYUFLEYAYFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-6-4-5-14(11-6)9-8(10)7(2)13(3)12-9/h4-5H,1-3H3.
What are the key properties of 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole has a molecular weight of 194.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole is sourced from PubChem (CID 89032531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).