3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole

C7H9FN2 — CID 155335254

IUPAC3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
SMILESC/C=C/c1cn(C)nc1F
InChIInChI=1S/C7H9FN2/c1-3-4-6-5-10(2)9-7(6)8/h3-5H,1-2H3/b4-3+
InChIKeySIHFPKDQYKBQEC-ONEGZZNKSA-N
MW140.16 g/mol
LogP1.59
Rot. Bonds1

About 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole

3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole (PubChem CID 155335254) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
PubChem CID155335254
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole
SMILESC/C=C/c1cn(C)nc1F
InChIInChI=1S/C7H9FN2/c1-3-4-6-5-10(2)9-7(6)8/h3-5H,1-2H3/b4-3+
InChIKeySIHFPKDQYKBQEC-ONEGZZNKSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole?
The IUPAC name of 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole (CID 155335254) is 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole.
What is the SMILES notation for 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole?
The canonical SMILES for 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole is C/C=C/c1cn(C)nc1F.
What is the InChIKey of 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole?
The InChIKey is SIHFPKDQYKBQEC-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9FN2/c1-3-4-6-5-10(2)9-7(6)8/h3-5H,1-2H3/b4-3+.
What are the key properties of 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole?
3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole has a molecular weight of 140.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-[(E)-prop-1-enyl]pyrazole is sourced from PubChem (CID 155335254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).