3-(difluoromethyl)-1-phenylpyrazole

C10H8F2N2 — CID 66014127

IUPAC3-(difluoromethyl)-1-phenylpyrazole
SMILESFC(F)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C10H8F2N2/c11-10(12)9-6-7-14(13-9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyMMKOHOJWQZKFKL-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.81
Rot. Bonds2

About 3-(difluoromethyl)-1-phenylpyrazole

3-(difluoromethyl)-1-phenylpyrazole (PubChem CID 66014127) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1-phenylpyrazole
PubChem CID66014127
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name3-(difluoromethyl)-1-phenylpyrazole
SMILESFC(F)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C10H8F2N2/c11-10(12)9-6-7-14(13-9)8-4-2-1-3-5-8/h1-7,10H
InChIKeyMMKOHOJWQZKFKL-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-phenylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1-phenylpyrazole (CID 66014127) is 3-(difluoromethyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1-phenylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1-phenylpyrazole is FC(F)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 3-(difluoromethyl)-1-phenylpyrazole?
The InChIKey is MMKOHOJWQZKFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c11-10(12)9-6-7-14(13-9)8-4-2-1-3-5-8/h1-7,10H.
What are the key properties of 3-(difluoromethyl)-1-phenylpyrazole?
3-(difluoromethyl)-1-phenylpyrazole has a molecular weight of 194.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-phenylpyrazole is sourced from PubChem (CID 66014127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).