5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole

C10H17FN2 — CID 123606705

IUPAC5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole
SMILESCCCc1c(C(C)C)nn(C)c1F
InChIInChI=1S/C10H17FN2/c1-5-6-8-9(7(2)3)12-13(4)10(8)11/h7H,5-6H2,1-4H3
InChIKeyWGRFWTPAJFJOIR-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.64
Rot. Bonds3

About 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole

5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole (PubChem CID 123606705) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole
PubChem CID123606705
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole
SMILESCCCc1c(C(C)C)nn(C)c1F
InChIInChI=1S/C10H17FN2/c1-5-6-8-9(7(2)3)12-13(4)10(8)11/h7H,5-6H2,1-4H3
InChIKeyWGRFWTPAJFJOIR-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole?
The IUPAC name of 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole (CID 123606705) is 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole.
What is the SMILES notation for 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole?
The canonical SMILES for 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole is CCCc1c(C(C)C)nn(C)c1F.
What is the InChIKey of 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole?
The InChIKey is WGRFWTPAJFJOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-5-6-8-9(7(2)3)12-13(4)10(8)11/h7H,5-6H2,1-4H3.
What are the key properties of 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole?
5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole has a molecular weight of 184.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-propan-2-yl-4-propylpyrazole is sourced from PubChem (CID 123606705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).