3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole

C11H13FN2S — CID 142566037

IUPAC3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole
SMILESCc1cn(C(C)C)nc1-c1sccc1F
InChIInChI=1S/C11H13FN2S/c1-7(2)14-6-8(3)10(13-14)11-9(12)4-5-15-11/h4-7H,1-3H3
InChIKeyCGCGPHQZRXSLHH-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.64
Rot. Bonds2

About 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole

3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole (PubChem CID 142566037) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole
PubChem CID142566037
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole
SMILESCc1cn(C(C)C)nc1-c1sccc1F
InChIInChI=1S/C11H13FN2S/c1-7(2)14-6-8(3)10(13-14)11-9(12)4-5-15-11/h4-7H,1-3H3
InChIKeyCGCGPHQZRXSLHH-UHFFFAOYSA-N
XLogP3.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole (CID 142566037) is 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole is Cc1cn(C(C)C)nc1-c1sccc1F.
What is the InChIKey of 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole?
The InChIKey is CGCGPHQZRXSLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-7(2)14-6-8(3)10(13-14)11-9(12)4-5-15-11/h4-7H,1-3H3.
What are the key properties of 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole?
3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole has a molecular weight of 224.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorothiophen-2-yl)-4-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 142566037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).