3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole

C8H11FN2 — CID 144581414

IUPAC3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole
SMILESC/C(F)=C\c1nn(C)cc1C
InChIInChI=1S/C8H11FN2/c1-6-5-11(3)10-8(6)4-7(2)9/h4-5H,1-3H3/b7-4+
InChIKeyPXKJMTXJGWWDMG-QPJJXVBHSA-N
MW154.19 g/mol
LogP2.06
Rot. Bonds1

About 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole

3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole (PubChem CID 144581414) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole
PubChem CID144581414
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole
SMILESC/C(F)=C\c1nn(C)cc1C
InChIInChI=1S/C8H11FN2/c1-6-5-11(3)10-8(6)4-7(2)9/h4-5H,1-3H3/b7-4+
InChIKeyPXKJMTXJGWWDMG-QPJJXVBHSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[1-(2-Cyanoethyl)-3-methylpyrazol-4-yl]methylidene]propanedinitrile
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1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429
4-Methyl-1-propyl-5-(trifluoromethyl)pyrazole
CID 20686656
1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazole
CID 21589446
3-Difluoromethyl-1,4-dimethylpyrazole
CID 22980781
3-(1-Fluoroethyl)-1,4-dimethylpyrazole
CID 59340900
3-(Fluoromethyl)-1,4-dimethylpyrazole
CID 59403296
3-(difluoromethyl)-4-ethenyl-1-methyl-1H-pyrazole
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CID 59559820

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole?
The IUPAC name of 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole (CID 144581414) is 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole.
What is the SMILES notation for 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole?
The canonical SMILES for 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole is C/C(F)=C\c1nn(C)cc1C.
What is the InChIKey of 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole?
The InChIKey is PXKJMTXJGWWDMG-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-5-11(3)10-8(6)4-7(2)9/h4-5H,1-3H3/b7-4+.
What are the key properties of 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole?
3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole has a molecular weight of 154.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-fluoroprop-1-enyl]-1,4-dimethylpyrazole is sourced from PubChem (CID 144581414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).