1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole

C7H9F3N2 — CID 176693215

IUPAC1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole
SMILESCC(C)c1nn(C(F)F)cc1F
InChIInChI=1S/C7H9F3N2/c1-4(2)6-5(8)3-12(11-6)7(9)10/h3-4,7H,1-2H3
InChIKeyOQXMSKDDKGHNMK-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.54
Rot. Bonds2

About 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole

1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole (PubChem CID 176693215) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole
PubChem CID176693215
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole
SMILESCC(C)c1nn(C(F)F)cc1F
InChIInChI=1S/C7H9F3N2/c1-4(2)6-5(8)3-12(11-6)7(9)10/h3-4,7H,1-2H3
InChIKeyOQXMSKDDKGHNMK-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-[4-(5-fluoro-1-propan-2-ylpyrazol-3-yl)butan-2-yl]-3-propan-2-ylpyrazole
CID 138548700
1,3-bis(difluoromethyl)-4-iodopyrazole
CID 170247476
1,3,4-tri(propan-2-yl)pyrazole
CID 23402671
1-tert-butyl-3-(difluoromethyl)-4-fluoropyrazole
CID 148688487
5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
CID 162725875
2-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]propan-2-ylazanium chloride
CID 166163799
2-(difluoromethyl)-6-fluoroindazole
CID 176929253
1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166559
1-(difluoromethyl)-4-iodopyrazol-3-amine;hydrochloride
CID 171145568
2-(difluoromethyl)-4-(3,5-difluoro-4-methylphenyl)indazole
CID 166076432
2-fluoro-5-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzonitrile
CID 62318042
2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]acetic acid
CID 154882073

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole (CID 176693215) is 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole is CC(C)c1nn(C(F)F)cc1F.
What is the InChIKey of 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole?
The InChIKey is OQXMSKDDKGHNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4(2)6-5(8)3-12(11-6)7(9)10/h3-4,7H,1-2H3.
What are the key properties of 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole?
1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-fluoro-3-propan-2-ylpyrazole is sourced from PubChem (CID 176693215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).