4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole

C8H9FN2 — CID 123537109

IUPAC4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole
SMILESC=Cc1c(C=CC)n[nH]c1F
InChIInChI=1S/C8H9FN2/c1-3-5-7-6(4-2)8(9)11-10-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyNIWHJZUYUKLNHH-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.22
Rot. Bonds2

About 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole

4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole (PubChem CID 123537109) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole.

Molecular Properties

Compound Name4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole
PubChem CID123537109
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole
SMILESC=Cc1c(C=CC)n[nH]c1F
InChIInChI=1S/C8H9FN2/c1-3-5-7-6(4-2)8(9)11-10-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyNIWHJZUYUKLNHH-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-3,5-dimethyl-1H-pyrazole
CID 22152548
4-ethenyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 89351142
3-ethenyl-4,5-difluoro-1H-pyrazole
CID 91088688
4-[(1E)-2-chlorobuta-1,3-dienyl]-3-(fluoromethyl)-5-methyl-1H-pyrazole
CID 130340739
(4Z,6E)-6-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]octa-4,6-dienenitrile
CID 143066739
ethane;4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
CID 143156308
3,4-bis(ethenyl)-5-fluoro-1H-pyrazole
CID 143818558
4-ethenyl-3-(1-fluoroethenyl)-5-methyl-1H-pyrazole
CID 145680413
3-fluoro-5-methyl-4-[(Z)-2-methylhex-3-en-3-yl]-1H-pyrazole
CID 156829189
CID 174026299
CID 174026299
3-ethenyl-5-fluoro-4-[(3Z)-2-methylhexa-3,5-dien-3-yl]-1H-pyrazole
CID 175616052
4-ethenyl-5-[(1Z,4Z,6E)-4-ethenyl-8,8,8-trifluoro-7-methylocta-1,4,6-trienyl]-1H-pyrazol-3-amine
CID 143156309

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole?
The IUPAC name of 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole (CID 123537109) is 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole.
What is the SMILES notation for 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole?
The canonical SMILES for 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole is C=Cc1c(C=CC)n[nH]c1F.
What is the InChIKey of 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole?
The InChIKey is NIWHJZUYUKLNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-3-5-7-6(4-2)8(9)11-10-7/h3-5H,2H2,1H3,(H,10,11).
What are the key properties of 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole?
4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole has a molecular weight of 152.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-fluoro-3-prop-1-enyl-1H-pyrazole is sourced from PubChem (CID 123537109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).