3-fluoro-4-methyl-1-propan-2-ylpyrazole

C7H11FN2 — CID 168900810

IUPAC3-fluoro-4-methyl-1-propan-2-ylpyrazole
SMILESCc1cn(C(C)C)nc1F
InChIInChI=1S/C7H11FN2/c1-5(2)10-4-6(3)7(8)9-10/h4-5H,1-3H3
InChIKeyQJBSEEYIOATGCT-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.91
Rot. Bonds1

About 3-fluoro-4-methyl-1-propan-2-ylpyrazole

3-fluoro-4-methyl-1-propan-2-ylpyrazole (PubChem CID 168900810) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-propan-2-ylpyrazole
PubChem CID168900810
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-fluoro-4-methyl-1-propan-2-ylpyrazole
SMILESCc1cn(C(C)C)nc1F
InChIInChI=1S/C7H11FN2/c1-5(2)10-4-6(3)7(8)9-10/h4-5H,1-3H3
InChIKeyQJBSEEYIOATGCT-UHFFFAOYSA-N
XLogP1.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3-fluoro-4-methyl-1-propan-2-ylpyrazole (CID 168900810) is 3-fluoro-4-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-fluoro-4-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3-fluoro-4-methyl-1-propan-2-ylpyrazole is Cc1cn(C(C)C)nc1F.
What is the InChIKey of 3-fluoro-4-methyl-1-propan-2-ylpyrazole?
The InChIKey is QJBSEEYIOATGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5(2)10-4-6(3)7(8)9-10/h4-5H,1-3H3.
What are the key properties of 3-fluoro-4-methyl-1-propan-2-ylpyrazole?
3-fluoro-4-methyl-1-propan-2-ylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 168900810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).