3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole

C11H17FN2 — CID 156829189

IUPAC3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole
SMILESCC/C=C(\c1c(F)n[nH]c1C)C(C)C
InChIInChI=1S/C11H17FN2/c1-5-6-9(7(2)3)10-8(4)13-14-11(10)12/h6-7H,5H2,1-4H3,(H,13,14)/b9-6-
InChIKeyWLNHSBWJOKHJHW-TWGQIWQCSA-N
MW196.27 g/mol
LogP3.31
Rot. Bonds3

About 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole

3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole (PubChem CID 156829189) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole
PubChem CID156829189
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole
SMILESCC/C=C(\c1c(F)n[nH]c1C)C(C)C
InChIInChI=1S/C11H17FN2/c1-5-6-9(7(2)3)10-8(4)13-14-11(10)12/h6-7H,5H2,1-4H3,(H,13,14)/b9-6-
InChIKeyWLNHSBWJOKHJHW-TWGQIWQCSA-N
XLogP3.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole?
The IUPAC name of 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole (CID 156829189) is 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole.
What is the SMILES notation for 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole?
The canonical SMILES for 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole is CC/C=C(\c1c(F)n[nH]c1C)C(C)C.
What is the InChIKey of 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole?
The InChIKey is WLNHSBWJOKHJHW-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H17FN2/c1-5-6-9(7(2)3)10-8(4)13-14-11(10)12/h6-7H,5H2,1-4H3,(H,13,14)/b9-6-.
What are the key properties of 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole?
3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole has a molecular weight of 196.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole is sourced from PubChem (CID 156829189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).