(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole

C6H7FN2 — CID 177160515

IUPAC(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
SMILESC=c1cnn(C)/c1=C\F
InChIInChI=1S/C6H7FN2/c1-5-4-8-9(2)6(5)3-7/h3-4H,1H2,2H3/b6-3-
InChIKeyNXZGBMYXIJSWAO-UTCJRWHESA-N
MW126.13 g/mol
LogP-0.46
Rot. Bonds

About (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole

(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole (PubChem CID 177160515) has the molecular formula C6H7FN2 and a molecular weight of 126.13 g/mol. Its IUPAC name is (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole.

Molecular Properties

Compound Name(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
PubChem CID177160515
Molecular FormulaC6H7FN2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole
SMILESC=c1cnn(C)/c1=C\F
InChIInChI=1S/C6H7FN2/c1-5-4-8-9(2)6(5)3-7/h3-4H,1H2,2H3/b6-3-
InChIKeyNXZGBMYXIJSWAO-UTCJRWHESA-N
XLogP-0.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
The IUPAC name of (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole (CID 177160515) is (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole.
What is the SMILES notation for (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
The canonical SMILES for (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole is C=c1cnn(C)/c1=C\F.
What is the InChIKey of (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
The InChIKey is NXZGBMYXIJSWAO-UTCJRWHESA-N. The full InChI is InChI=1S/C6H7FN2/c1-5-4-8-9(2)6(5)3-7/h3-4H,1H2,2H3/b6-3-.
What are the key properties of (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole?
(5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole has a molecular weight of 126.13 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(fluoromethylidene)-1-methyl-4-methylidenepyrazole is sourced from PubChem (CID 177160515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).