4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole

C11H15FN4 — CID 139319927

IUPAC4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole
SMILESCc1nn(-c2cn(C(C)C)nc2C)cc1F
InChIInChI=1S/C11H15FN4/c1-7(2)15-6-11(9(4)14-15)16-5-10(12)8(3)13-16/h5-7H,1-4H3
InChIKeyJZQORIFSHHFLEV-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.41
Rot. Bonds2

About 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole

4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole (PubChem CID 139319927) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole
PubChem CID139319927
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole
SMILESCc1nn(-c2cn(C(C)C)nc2C)cc1F
InChIInChI=1S/C11H15FN4/c1-7(2)15-6-11(9(4)14-15)16-5-10(12)8(3)13-16/h5-7H,1-4H3
InChIKeyJZQORIFSHHFLEV-UHFFFAOYSA-N
XLogP2.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole?
The IUPAC name of 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole (CID 139319927) is 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole?
The canonical SMILES for 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole is Cc1nn(-c2cn(C(C)C)nc2C)cc1F.
What is the InChIKey of 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole?
The InChIKey is JZQORIFSHHFLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c1-7(2)15-6-11(9(4)14-15)16-5-10(12)8(3)13-16/h5-7H,1-4H3.
What are the key properties of 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole?
4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole has a molecular weight of 222.27 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 4-fluoro-3-methyl-1-(3-methyl-1-propan-2-ylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 139319927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).