4-(3,5-difluorophenyl)-1-methylpyrazole

C10H8F2N2 — CID 4667930

IUPAC4-(3,5-difluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C10H8F2N2/c1-14-6-8(5-13-14)7-2-9(11)4-10(12)3-7/h2-6H,1H3
InChIKeyNAKDGJJJTQOGRJ-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.37
Rot. Bonds1

About 4-(3,5-difluorophenyl)-1-methylpyrazole

4-(3,5-difluorophenyl)-1-methylpyrazole (PubChem CID 4667930) has the molecular formula C10H8F2N2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-1-methylpyrazole
PubChem CID4667930
Molecular FormulaC10H8F2N2
Molecular Weight194.18 g/mol
Exact Mass194.07
IUPAC Name4-(3,5-difluorophenyl)-1-methylpyrazole
SMILESCn1cc(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C10H8F2N2/c1-14-6-8(5-13-14)7-2-9(11)4-10(12)3-7/h2-6H,1H3
InChIKeyNAKDGJJJTQOGRJ-UHFFFAOYSA-N
XLogP2.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-1-methylpyrazole?
The IUPAC name of 4-(3,5-difluorophenyl)-1-methylpyrazole (CID 4667930) is 4-(3,5-difluorophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(3,5-difluorophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(3,5-difluorophenyl)-1-methylpyrazole is Cn1cc(-c2cc(F)cc(F)c2)cn1.
What is the InChIKey of 4-(3,5-difluorophenyl)-1-methylpyrazole?
The InChIKey is NAKDGJJJTQOGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2/c1-14-6-8(5-13-14)7-2-9(11)4-10(12)3-7/h2-6H,1H3.
What are the key properties of 4-(3,5-difluorophenyl)-1-methylpyrazole?
4-(3,5-difluorophenyl)-1-methylpyrazole has a molecular weight of 194.18 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-1-methylpyrazole is sourced from PubChem (CID 4667930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).