4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole

C15H13F3N4 — CID 118864199

IUPAC4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole
SMILESCn1nccc1Cn1cc(-c2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C15H13F3N4/c1-21-12(4-5-19-21)9-22-8-11(7-20-22)10-2-3-14(16)13(6-10)15(17)18/h2-8,15H,9H2,1H3
InChIKeyQWQROZAMNURWBT-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.41
Rot. Bonds4

About 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole

4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole (PubChem CID 118864199) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole
PubChem CID118864199
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC Name4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole
SMILESCn1nccc1Cn1cc(-c2ccc(F)c(C(F)F)c2)cn1
InChIInChI=1S/C15H13F3N4/c1-21-12(4-5-19-21)9-22-8-11(7-20-22)10-2-3-14(16)13(6-10)15(17)18/h2-8,15H,9H2,1H3
InChIKeyQWQROZAMNURWBT-UHFFFAOYSA-N
XLogP3.41
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
The IUPAC name of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole (CID 118864199) is 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
The canonical SMILES for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole is Cn1nccc1Cn1cc(-c2ccc(F)c(C(F)F)c2)cn1.
What is the InChIKey of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
The InChIKey is QWQROZAMNURWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c1-21-12(4-5-19-21)9-22-8-11(7-20-22)10-2-3-14(16)13(6-10)15(17)18/h2-8,15H,9H2,1H3.
What are the key properties of 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole?
4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole has a molecular weight of 306.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methylpyrazol-3-yl)methyl]pyrazole is sourced from PubChem (CID 118864199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).