1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole

C7H8F2N2 — CID 169249860

IUPAC1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole
SMILESC=C(C)c1cnn(C(F)F)c1
InChIInChI=1S/C7H8F2N2/c1-5(2)6-3-10-11(4-6)7(8)9/h3-4,7H,1H2,2H3
InChIKeyZDEXTKWGKPQASS-UHFFFAOYSA-N
MW158.15 g/mol
LogP2.31
Rot. Bonds2

About 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole

1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole (PubChem CID 169249860) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole
PubChem CID169249860
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole
SMILESC=C(C)c1cnn(C(F)F)c1
InChIInChI=1S/C7H8F2N2/c1-5(2)6-3-10-11(4-6)7(8)9/h3-4,7H,1H2,2H3
InChIKeyZDEXTKWGKPQASS-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine
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CID 43124155
2-(1-methyl-1H-pyrazol-4-yl)propan-2-amine
CID 54595161
2-(1-methyl-1H-pyrazol-4-yl)propanenitrile
CID 61792416
2-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine hydrochloride
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1-Methyl-4-(trifluoromethyl)-1H-pyrazole
CID 10920680
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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole (CID 169249860) is 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole is C=C(C)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole?
The InChIKey is ZDEXTKWGKPQASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-5(2)6-3-10-11(4-6)7(8)9/h3-4,7H,1H2,2H3.
What are the key properties of 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole?
1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole has a molecular weight of 158.15 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-prop-1-en-2-ylpyrazole is sourced from PubChem (CID 169249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).